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Regtests for DFTB
svn-origin-rev: 5962
This commit is contained in:
Jürg Hutter
parent
dbce26f268
commit
fa11ff548a
141 changed files with 51491 additions and 0 deletions
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5*0.0 6.051281683070e-02 -1.121882043060e-02 0.0 -4.963098588160e-02 -3.888916346190e-02 5*0.0 -8.087262689430e-02 1.205702847250e-02 0.0 5.654706661500e-02 3.814993088210e-02
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5*0.0 5.941576223930e-02 -1.092098784220e-02 0.0 -4.860576101520e-02 -3.800086756260e-02 5*0.0 -7.895463848430e-02 1.167222597190e-02 0.0 5.509544257860e-02 3.709705648190e-02
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5*0.0 5.833215542490e-02 -1.063018023040e-02 0.0 -4.759684451940e-02 -3.712926452640e-02 5*0.0 -7.707089086670e-02 1.129855035730e-02 0.0 5.367358099320e-02 3.606861141210e-02
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5*0.0 5.726197765060e-02 -1.034625438610e-02 0.0 -4.660409729640e-02 -3.627413322080e-02 5*0.0 -7.522113382330e-02 1.093572155700e-02 0.0 5.228109931090e-02 3.506417821130e-02
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5*0.0 5.620520672780e-02 -1.006906954970e-02 0.0 -4.562737831220e-02 -3.543525302050e-02 5*0.0 -7.340510583390e-02 1.058346518590e-02 0.0 5.091761267940e-02 3.408334219460e-02
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5*0.0 5.516181711990e-02 -9.798487379080e-03 0.0 -4.466654467470e-02 -3.461240385800e-02 5*0.0 -7.162253466650e-02 1.024151247400e-02 0.0 4.958273425610e-02 3.312569158260e-02
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5*0.0 5.014446532910e-02 -8.539939105750e-03 0.0 -4.009554054330e-02 -3.073097123720e-02 5*0.0 -6.320132478570e-02 8.677280751580e-03 0.0 4.332382408800e-02 2.867102565390e-02
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5*0.0 4.918064508460e-02 -8.306198545500e-03 0.0 -3.922692875060e-02 -2.999972861750e-02 5*0.0 -6.161324880690e-02 8.391811091130e-03 0.0 4.215239698850e-02 2.784401752120e-02
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5*0.0 4.822993747640e-02 -8.078156948520e-03 0.0 -3.837315936130e-02 -2.928299886670e-02 5*0.0 -6.005647084310e-02 8.114914784140e-03 0.0 4.100683888360e-02 2.703740325660e-02
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5*0.0 4.729229198380e-02 -7.855694057820e-03 0.0 -3.753407844130e-02 -2.858056908490e-02 5*0.0 -5.853065259140e-02 7.846365338780e-03 0.0 3.988675718670e-02 2.625079825390e-02
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5*0.0 4.636765521210e-02 -7.638691731880e-03 0.0 -3.670953109950e-02 -2.789222754990e-02 5*0.0 -5.703544973910e-02 7.585941212920e-03 0.0 3.879175972600e-02 2.548382171170e-02
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5*0.0 4.545597097530e-02 -7.427033914970e-03 0.0 -3.589936157810e-02 -2.721776377250e-02 5*0.0 -5.557051241930e-02 7.333425739090e-03 0.0 3.772145496700e-02 2.473609670610e-02
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5*0.0 4.455718033810e-02 -7.220606601880e-03 0.0 -3.510341333680e-02 -2.655696853920e-02 5*0.0 -5.413548565260e-02 7.088607049530e-03 0.0 3.667545222550e-02 2.400725025970e-02
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5*0.0 4.108968280740e-02 -6.444992577170e-03 0.0 -3.205867942000e-02 -2.404633645100e-02 5*0.0 -4.868722929810e-02 6.182226577810e-03 0.0 3.272668878780e-02 2.127333207280e-02
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5*0.0 4.025438474490e-02 -6.263077586360e-03 0.0 -3.133146766180e-02 -2.345079400810e-02 5*0.0 -4.739628103120e-02 5.972876547110e-03 0.0 3.179637955400e-02 2.063342607910e-02
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5*0.0 3.943157271250e-02 -6.085750589690e-03 0.0 -3.061752596670e-02 -2.286769439010e-02 5*0.0 -4.613302924850e-02 5.770048703170e-03 0.0 3.088805702260e-02 2.001024689740e-02
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5*0.0 3.862117039190e-02 -5.912911160740e-03 0.0 -2.991669451330e-02 -2.229683861670e-02 5*0.0 -4.489709450460e-02 5.573562687740e-03 0.0 3.000134176150e-02 1.940345070480e-02
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5*0.0 3.782309922880e-02 -5.744460695430e-03 0.0 -2.922881331800e-02 -2.173802933340e-02 5*0.0 -4.368809532840e-02 5.383242348370e-03 0.0 2.913585660960e-02 1.881269801050e-02
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5*0.0 3.703727851370e-02 -5.580302398560e-03 0.0 -2.855372227990e-02 -2.119107082530e-02 5*0.0 -4.250564855460e-02 5.198915665510e-03 0.0 2.829122682110e-02 1.823765368590e-02
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5*0.0 3.626362544530e-02 -5.420341247220e-03 0.0 -2.789126127140e-02 -2.065576906420e-02 5*0.0 -4.134936964380e-02 5.020414680040e-03 0.0 2.746708020250e-02 1.767798699080e-02
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5*0.0 3.550205519220e-02 -5.264483970990e-03 0.0 -2.724127018060e-02 -2.013193172850e-02 5*0.0 -4.021887299150e-02 4.847575421310e-03 0.0 2.666304724230e-02 1.713337159600e-02
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5*0.0 3.475248095980e-02 -5.112639023790e-03 0.0 -2.660358899320e-02 -1.961936823090e-02 5*0.0 -3.911377222590e-02 4.680237835520e-03 0.0 2.587876123500e-02 1.660348560260e-02
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5*0.0 3.401481408190e-02 -4.964716560210e-03 0.0 -2.597805783840e-02 -1.911788975040e-02 5*0.0 -3.803368049470e-02 4.518245714780e-03 0.0 2.511385839770e-02 1.608801155750e-02
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5*0.0 3.328896402760e-02 -4.820628407590e-03 0.0 -2.536451705760e-02 -1.862730924680e-02 5*0.0 -3.697821074130e-02 4.361446626620e-03 0.0 2.436797798110e-02 1.558663646650e-02
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5*0.0 3.257483853580e-02 -4.680288048120e-03 0.0 -2.476280725080e-02 -1.814744148990e-02 5*0.0 -3.594697597080e-02 4.209691844020e-03 0.0 2.364076237380e-02 1.509905180330e-02
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5*0.0 3.187234364790e-02 -4.543610589820e-03 0.0 -2.417276935370e-02 -1.767810307980e-02 5*0.0 -3.493958950480e-02 4.062836276160e-03 0.0 2.293185720080e-02 1.462495351620e-02
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5*0.0 3.118138376770e-02 -4.410512740310e-03 0.0 -2.359424466720e-02 -1.721911246080e-02 5*0.0 -3.395566522680e-02 3.920738399670e-03 0.0 2.224091141610e-02 1.416404203170e-02
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5*0.0 3.050186175550e-02 -4.280912790180e-03 0.0 -2.302707492910e-02 -1.677028994480e-02 5*0.0 -3.299481781770e-02 3.783260190560e-03 0.0 2.156757738980e-02 1.371602225480e-02
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5*0.0 2.983367896220e-02 -4.154730583600e-03 0.0 -2.247110234950e-02 -1.633145772290e-02 5*0.0 -3.205666298120e-02 3.650267056770e-03 0.0 2.091151098920e-02 1.328060356750e-02
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5*0.0 2.917673532650e-02 -4.031887498680e-03 0.0 -2.192616967850e-02 -1.590243988580e-02 5*0.0 -3.114081765970e-02 3.521627771460e-03 0.0 2.027237165470e-02 1.285749982380e-02
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5*0.0 2.853092940940e-02 -3.912306423030e-03 0.0 -2.139212023510e-02 -1.548306242980e-02 5*0.0 -3.024690024120e-02 3.397214406890e-03 0.0 1.964982247080e-02 1.244642934290e-02
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5*0.0 2.789615848830e-02 -3.795911730680e-03 0.0 -2.086879796750e-02 -1.507315327850e-02 5*0.0 -2.937453075690e-02 3.276902269100e-03 0.0 1.904353023130e-02 1.204711489920e-02
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5*0.0 2.727231860420e-02 -3.682629262260e-03 0.0 -2.035604749050e-02 -1.467254228340e-02 5*0.0 -2.852333106940e-02 3.160569833230e-03 0.0 1.845316550020e-02 1.165928371100e-02
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5*0.0 2.665930463190e-02 -3.572386300930e-03 0.0 -1.985371413540e-02 -1.428106124190e-02 5*0.0 -2.769292505320e-02 3.048098679620e-03 0.0 1.787840266740e-02 1.128266742600e-02
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5*0.0 2.605701034890e-02 -3.465111552230e-03 0.0 -1.936164397950e-02 -1.389854389730e-02 5*0.0 -2.688293876590e-02 2.939373430640e-03 0.0 1.731891999960e-02 1.091700210520e-02
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5*0.0 2.546532848840e-02 -3.360735119580e-03 0.0 -1.887968390450e-02 -1.352482595580e-02 5*0.0 -2.609300061090e-02 2.834281688290e-03 0.0 1.677439968740e-02 1.056202820450e-02
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5*0.0 2.488415081730e-02 -3.259188486750e-03 0.0 -1.840768161730e-02 -1.315974508400e-02 5*0.0 -2.532274149290e-02 2.732713972520e-03 0.0 1.624452788700e-02 1.021749055470e-02
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5*0.0 2.431336817690e-02 -3.160404493160e-03 0.0 -1.794548569990e-02 -1.280314091920e-02 5*0.0 -2.457179496470e-02 2.634563660410e-03 0.0 1.572899475840e-02 9.883138339350e-03
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5*0.0 2.375287056580e-02 -3.064317314300e-03 0.0 -1.749294564080e-02 -1.245485507030e-02 5*0.0 -2.383979736620e-02 2.539726926040e-03 0.0 1.522749449930e-02 9.558725070610e-03
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5*0.0 2.320254719780e-02 -2.970862444460e-03 0.0 -1.704991186920e-02 -1.211473112090e-02 5*0.0 -2.312638795670e-02 2.448102681240e-03 0.0 1.473972537460e-02 9.244008563890e-03
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5*0.0 2.266228655500e-02 -2.879976671600e-03 0.0 -1.661623578910e-02 -1.178261463440e-02 5*0.0 -2.243120903900e-02 2.359592517060e-03 0.0 1.426538974300e-02 8.938750910550e-03
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5*0.0 2.213197644400e-02 -2.791598057080e-03 0.0 -1.619176981190e-02 -1.145835315010e-02 5*0.0 -2.175390607670e-02 2.274100646080e-03 0.0 1.380419407900e-02 8.642718449120e-03
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5*0.0 2.161150407210e-02 -2.705665920240e-03 0.0 -1.577636738630e-02 -1.114179618460e-02 5*0.0 -2.109412780470e-02 2.191533845580e-03 0.0 1.335584899130e-02 8.355681735070e-03
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5*0.0 2.110075609050e-02 -2.622120815250e-03 0.0 -1.536988302830e-02 -1.083279523570e-02 5*0.0 -2.045152633270e-02 2.111801401420e-03 0.0 1.292006923870e-02 8.077415509180e-03
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5*0.0 2.059961865810e-02 -2.540904510400e-03 0.0 -1.497217234810e-02 -1.053120377120e-02 5*0.0 -1.982575724190e-02 2.034815052810e-03 0.0 1.249657374150e-02 7.807698664560e-03
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5*0.0 2.010797749770e-02 -2.461959972770e-03 0.0 -1.458309207720e-02 -1.023687723430e-02 5*0.0 -1.921647967650e-02 1.960488937900e-03 0.0 1.208508559040e-02 7.546314212480e-03
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5*0.0 1.962571794630e-02 -2.385231344510e-03 0.0 -1.420250009530e-02 -9.949673037260e-03 5*0.0 -1.862335642710e-02 1.888739540140e-03 0.0 1.168533205230e-02 7.293049246930e-03
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5*0.0 1.915272502530e-02 -2.310663928830e-03 0.0 -1.383025545400e-02 -9.669450555830e-03 5*0.0 -1.804605400990e-02 1.819485635510e-03 0.0 1.129704457250e-02 7.047694908190e-03
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5*0.0 1.868888347800e-02 -2.238204166690e-03 0.0 -1.346621839580e-02 -9.396071125780e-03 5*0.0 -1.748424273880e-02 1.752648240570e-03 0.0 1.091995877480e-02 6.810046345240e-03
|
||||
5*0.0 1.823407782380e-02 -2.167799620170e-03 0.0 -1.311025038500e-02 -9.129398036750e-03 5*0.0 -1.693759679280e-02 1.688150561310e-03 0.0 1.055381445860e-02 6.579902677250e-03
|
||||
5*0.0 1.778819242490e-02 -2.099398954990e-03 0.0 -1.276221411880e-02 -8.869296525330e-03 5*0.0 -1.640579427710e-02 1.625917942830e-03 0.0 1.019835559280e-02 6.357066954100e-03
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5*0.0 1.735111152280e-02 -2.032951920930e-03 0.0 -1.242197355300e-02 -8.615633767760e-03 5*0.0 -1.588851727920e-02 1.565877819860e-03 0.0 9.853330308260e-03 6.141346116150e-03
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5*0.0 1.692271929440e-02 -1.968409334590e-03 0.0 -1.208939391810e-02 -8.368278873710e-03 5*0.0 -1.538545192040e-02 1.507959668050e-03 0.0 9.518490886760e-03 5.932550953060e-03
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5*0.0 1.650289990480e-02 -1.905723061860e-03 0.0 -1.176434173860e-02 -8.127102876380e-03 5*0.0 -1.489628840120e-02 1.452094956160e-03 0.0 9.193593748350e-03 5.730496062000e-03
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||||
5*0.0 1.609153753950e-02 -1.844845998710e-03 0.0 -1.144668484670e-02 -7.891978722730e-03 5*0.0 -1.442072104330e-02 1.398217099000e-03 0.0 8.878399436160e-03 5.534999805070e-03
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5*0.0 1.568851647410e-02 -1.785732056320e-03 0.0 -1.113629239880e-02 -7.662781264720e-03 5*0.0 -1.395844832540e-02 1.346261411160e-03 0.0 8.572672599160e-03 5.345884266190e-03
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5*0.0 1.529372110450e-02 -1.728336142330e-03 0.0 -1.083303489100e-02 -7.439387250720e-03 5*0.0 -1.350917291590e-02 1.296165061660e-03 0.0 8.276181972940e-03 5.162975207280e-03
|
||||
5*0.0 1.490703599340e-02 -1.672614143470e-03 0.0 -1.053678416960e-02 -7.221675311830e-03 5*0.0 -1.307260170070e-02 1.247867029250e-03 0.0 7.988700358480e-03 4.986102024080e-03
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5*0.0 1.452834592220e-02 -1.618522910280e-03 0.0 -1.024741344670e-02 -7.009525953060e-03 5*0.0 -1.264844580640e-02 1.201308058630e-03 0.0 7.710004599140e-03 4.815097701310e-03
|
||||
5*0.0 1.415753592580e-02 -1.566020239380e-03 0.0 -9.964797308240e-03 -6.802821540120e-03 5*0.0 -1.223642062060e-02 1.156430617430e-03 0.0 7.439875555910e-03 4.649798767530e-03
|
||||
5*0.0 1.379449133730e-02 -1.515064857360e-03 0.0 -9.688811726020e-03 -6.601446287840e-03 5*0.0 -1.183624580690e-02 1.113178853930e-03 0.0 7.178098080920e-03 4.490045249550e-03
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||||
5*0.0 1.343909782710e-02 -1.465616404480e-03 0.0 -9.419334067470e-03 -6.405286248050e-03 5*0.0 -1.144764531770e-02 1.071498555630e-03 0.0 6.924460989500e-03 4.335680626530e-03
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||||
5*0.0 1.309124144610e-02 -1.417635418570e-03 0.0 -9.156243101800e-03 -6.214229295230e-03 5*0.0 -1.107034740210e-02 1.031337108590e-03 0.0 6.678757030650e-03 4.186551783730e-03
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||||
5*0.0 1.275080865860e-02 -1.371083319190e-03 0.0 -8.899419011920e-03 -6.028165114520e-03 5*0.0 -1.070408461140e-02 9.926434574430e-04 0.0 6.440782856100e-03 4.042508966060e-03
|
||||
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|
||||
5*0.0 7.680900609490e-05 -4.747183675510e-06 0.0 -5.670614650310e-05 -5.511763764700e-05 5*0.0 -1.589066736480e-04 2.218164593660e-06 0.0 1.961800004410e-04 1.761082439870e-04
|
||||
5*0.0 7.437589427020e-05 -4.571405704310e-06 0.0 -5.568309945100e-05 -5.411327352980e-05 5*0.0 -1.561848909070e-04 1.868574810920e-06 0.0 1.944673087120e-04 1.710997502420e-04
|
||||
5*0.0 7.204962696270e-05 -4.401590288880e-06 0.0 -5.471286867170e-05 -5.312866815670e-05 5*0.0 -1.534796379510e-04 1.526436165880e-06 0.0 1.927294055900e-04 1.660961816420e-04
|
||||
5*0.0 6.982544950630e-05 -4.237470861300e-06 0.0 -5.379252527310e-05 -5.216237127600e-05 5*0.0 -1.507900447280e-04 1.191664910190e-06 0.0 1.909665131920e-04 1.610986951390e-04
|
||||
5*0.0 6.769878113510e-05 -4.078793365380e-06 0.0 -5.291925799470e-05 -5.121300748040e-05 5*0.0 -1.481153301060e-04 8.641798172690e-07 0.0 1.891789047590e-04 1.561084532440e-04
|
||||
5*0.0 6.566521001500e-05 -3.925315699810e-06 0.0 -5.209036958620e-05 -5.027927344340e-05 5*0.0 -1.454547972180e-04 5.439019678910e-07 0.0 1.873669015230e-04 1.511266222460e-04
|
||||
5*0.0 6.372048781320e-05 -3.776807169960e-06 0.0 -5.130327307620e-05 -4.935993519860e-05 5*0.0 -1.428078289750e-04 2.307545471710e-07 0.0 1.855308697020e-04 1.461543705190e-04
|
||||
5*0.0 6.186052587980e-05 -3.633048181650e-06 0.0 -5.055548881520e-05 -4.845382626330e-05 5*0.0 -1.401738837420e-04 -7.533734550820e-08 0.0 1.836712175960e-04 1.411928668960e-04
|
||||
5*0.0 6.008138941080e-05 -3.493829582170e-06 0.0 -4.984464045480e-05 -4.755984430930e-05 5*0.0 -1.375524911730e-04 -3.744468753340e-07 0.0 1.817883928010e-04 1.362432791310e-04
|
||||
5*0.0 5.837929372230e-05 -3.358952362410e-06 0.0 -4.916845239600e-05 -4.667694970020e-05 5*0.0 -1.349432482040e-04 -6.666456397500e-07 0.0 1.798828795240e-04 1.313067724200e-04
|
||||
5*0.0 5.675059934960e-05 -3.228227190330e-06 0.0 -4.852474599970e-05 -4.580416270180e-05 5*0.0 -1.323458151880e-04 -9.520038252620e-07 0.0 1.779551959970e-04 1.263845080000e-04
|
||||
5*0.0 5.519180780510e-05 -3.101473985520e-06 0.0 -4.791143695160e-05 -4.494056152820e-05 5*0.0 -1.297599121870e-04 -1.230590354540e-06 0.0 1.760058919960e-04 1.214776418170e-04
|
||||
5*0.0 5.369955792050e-05 -2.978521542430e-06 0.0 -4.732653142340e-05 -4.408527910820e-05 5*0.0 -1.271853153950e-04 -1.502473023680e-06 0.0 1.740355464590e-04 1.165873232550e-04
|
||||
5*0.0 5.227061890790e-05 -2.859207119520e-06 0.0 -4.676812531910e-05 -4.323750500110e-05 5*0.0 -1.246218537120e-04 -1.767718630020e-06 0.0 1.720447651890e-04 1.117146939350e-04
|
||||
5*0.0 5.090189050810e-05 -2.743376119580e-06 0.0 -4.623439830170e-05 -4.239647735120e-05 5*0.0 -1.220694054380e-04 -2.026393091780e-06 0.0 1.700341786590e-04 1.068608865700e-04
|
||||
5*0.0 4.959039607580e-05 -2.630881704280e-06 0.0 -4.572361278720e-05 -4.156148468830e-05 5*0.0 -1.195278951070e-04 -2.278561558160e-06 0.0 1.680044398960e-04 1.020270238900e-04
|
||||
5*0.0 4.833327950750e-05 -2.521584447860e-06 0.0 -4.523411125070e-05 -4.073186371760e-05 5*0.0 -1.169972904480e-04 -2.524288512950e-06 0.0 1.659562224620e-04 9.721421761130e-05
|
||||
5*0.0 4.712780132310e-05 -2.415352033250e-06 0.0 -4.476431301790e-05 -3.990699655390e-05 5*0.0 -1.144775994590e-04 -2.763637869500e-06 0.0 1.638902185050e-04 9.242356747470e-05
|
||||
5*0.0 4.597133499100e-05 -2.312058903420e-06 0.0 -4.431271184030e-05 -3.908630939340e-05 5*0.0 -1.119688676100e-04 -2.996673058420e-06 0.0 1.618071369050e-04 8.765616033460e-05
|
||||
5*0.0 4.486136340330e-05 -2.211585990690e-06 0.0 -4.387787363350e-05 -3.826927102960e-05 5*0.0 -1.094711751590e-04 -3.223457109300e-06 0.0 1.597077014920e-04 8.291306929710e-05
|
||||
5*0.0 4.379547514660e-05 -2.113820381380e-06 0.0 -4.345843361770e-05 -3.745539038490e-05 5*0.0 -1.069846345780e-04 -3.444052724770e-06 0.0 1.575926493380e-04 7.819535291590e-05
|
||||
5*0.0 4.277136123480e-05 -2.018655072610e-06 0.0 -4.305309408390e-05 -3.664421534390e-05 5*0.0 -1.045093880890e-04 -3.658522349000e-06 0.0 1.554627291260e-04 7.350405443060e-05
|
||||
5*0.0 4.178681164660e-05 -1.925988684320e-06 0.0 -4.266062216740e-05 -3.583533114810e-05 5*0.0 -1.020456053050e-04 -3.866928230390e-06 0.0 1.533186995950e-04 6.884020106010e-05
|
||||
5*0.0 4.083971181510e-05 -1.835725180640e-06 0.0 -4.227984751050e-05 -3.502835894840e-05 5*0.0 -9.959348097480e-05 -4.069332477990e-06 0.0 1.511613280460e-04 6.420480333710e-05
|
||||
5*0.0 3.992804035710e-05 -1.747773650610e-06 0.0 -4.190965955420e-05 -3.422295314030e-05 5*0.0 -9.715323282350e-05 -4.265797113620e-06 0.0 1.489913889200e-04 5.959885448920e-05
|
||||
5*0.0 3.904986491240e-05 -1.662048095280e-06 0.0 -4.154900689340e-05 -3.341880223600e-05 5*0.0 -9.472509949190e-05 -4.456384117840e-06 0.0 1.468096624460e-04 5.502332986340e-05
|
||||
5*0.0 3.820333909400e-05 -1.578467011070e-06 0.0 -4.119689276680e-05 -3.261562457880e-05 5*0.0 -9.230933856810e-05 -4.641155471960e-06 0.0 1.446169333390e-04 5.047918639170e-05
|
||||
5*0.0 3.738670050260e-05 -1.496953365980e-06 0.0 -4.085237567700e-05 -3.181316945150e-05 5*0.0 -8.990622470710e-05 -4.820173195350e-06 0.0 1.424139895770e-04 4.596736209760e-05
|
||||
5*0.0 3.659826700490e-05 -1.417434470680e-06 0.0 -4.051456561500e-05 -3.101121449500e-05 5*0.0 -8.751604783940e-05 -4.993499378230e-06 0.0 1.402016212180e-04 4.148877564080e-05
|
||||
5*0.0 3.583643404470e-05 -1.339841388160e-06 0.0 -4.018262201130e-05 -3.020956367610e-05 5*0.0 -8.513911146240e-05 -5.161196211090e-06 0.0 1.379806192930e-04 3.704432589840e-05
|
||||
5*0.0 3.509966412140e-05 -1.264109006280e-06 0.0 -3.985576182780e-05 -2.940805983320e-05 5*0.0 -8.277573101410e-05 -5.323326009290e-06 0.0 1.357517747400e-04 3.263489158620e-05
|
||||
5*0.0 3.438651797140e-05 -1.190176156030e-06 0.0 -3.953322261090e-05 -2.860653349830e-05 5*0.0 -8.042623232470e-05 -5.479951235230e-06 0.0 1.335158773970e-04 2.826133090700e-05
|
||||
5*0.0 3.369559905050e-05 -1.117984667400e-06 0.0 -3.921431254220e-05 -2.780487665230e-05 5*0.0 -7.809095014500e-05 -5.631134516240e-06 0.0 1.312737150510e-04 2.392448124430e-05
|
||||
5*0.0 3.302558725500e-05 -1.047479800570e-06 0.0 -3.889837388340e-05 -2.700299057620e-05 5*0.0 -7.577022674720e-05 -5.776938659960e-06 0.0 1.290260725300e-04 1.962515887440e-05
|
||||
5*0.0 3.237522742610e-05 -9.786097931870e-07 0.0 -3.858479021780e-05 -2.620079770290e-05 5*0.0 -7.346441059740e-05 -5.917426666240e-06 0.0 1.267737308490e-04 1.536415872070e-05
|
||||
5*0.0 3.174332702120e-05 -9.113258816890e-07 0.0 -3.827298458940e-05 -2.539824063410e-05 5*0.0 -7.117385509690e-05 -6.052661736760e-06 0.0 1.245174663960e-04 1.114225413160e-05
|
||||
5*0.0 3.112875367020e-05 -8.455820961330e-07 0.0 -3.796241819470e-05 -2.459528151920e-05 5*0.0 -6.889891738900e-05 -6.182707281620e-06 0.0 1.222580501730e-04 6.960196690600e-06
|
||||
5*0.0 3.053043246740e-05 -7.813348864030e-07 0.0 -3.765258909700e-05 -2.379190052640e-05 5*0.0 -6.663995722980e-05 -6.307626923650e-06 0.0 1.199962470720e-04 2.818716050450e-06
|
||||
5*0.0 2.994734460040e-05 -7.185434007380e-07 0.0 -3.734302978650e-05 -2.298809443950e-05 5*0.0 -6.439733592040e-05 -6.427484500580e-06 0.0 1.177328151960e-04 -1.281480201070e-06
|
||||
5*0.0 2.937852443530e-05 -6.571689520910e-07 0.0 -3.703330678590e-05 -2.218387694880e-05 5*0.0 -6.217141529960e-05 -6.542344064860e-06 0.0 1.154685052230e-04 -5.339706656840e-06
|
||||
5*0.0 2.882305858480e-05 -5.971752547740e-07 0.0 -3.672301901970e-05 -2.137927697530e-05 5*0.0 -5.996255679250e-05 -6.652269881580e-06 0.0 1.132040598050e-04 -9.355300175710e-06
|
||||
5*0.0 2.828008527220e-05 -5.385279487170e-07 0.0 -3.641179342680e-05 -2.057433392770e-05 5*0.0 -5.777112051400e-05 -6.757326424810e-06 0.0 1.109402130090e-04 -1.332761994720e-05
|
||||
5*0.0 2.774878233010e-05 -4.811945867700e-07 0.0 -3.609929473480e-05 -1.976911255920e-05 5*0.0 -5.559746442780e-05 -6.857578371580e-06 0.0 1.086776897890e-04 -1.725604753080e-05
|
||||
5*0.0 2.722838155910e-05 -4.251446866350e-07 0.0 -3.578520753700e-05 -1.896367817650e-05 5*0.0 -5.344194355410e-05 -6.953090595350e-06 0.0 1.064172054980e-04 -2.113998688180e-05
|
||||
501
tests/DFTB/nonscc/bc
Normal file
501
tests/DFTB/nonscc/bc
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, +0.082090, -0.008619, -0.202760, +0.266137, -0.11655, +0.018196, +0.000244, 0.0, 4.0, 3.6, 9*0.0,
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 8.862675351100e-01 1.139548688380e+00 0.0 -4.501811900460e-01 1.020028614370e+00 5*0.0 -8.494840023190e-01 -9.427824159780e-01 0.0 -5.647848011180e-02 -9.082492938990e-01
|
||||
5*0.0 8.549197583680e-01 1.126742253640e+00 0.0 -4.456245200870e-01 9.768810429260e-01 5*0.0 -8.360162332410e-01 -9.380208540750e-01 0.0 -6.123382738360e-02 -9.028597719110e-01
|
||||
5*0.0 8.233778980230e-01 1.113670393630e+00 0.0 -4.393813418540e-01 9.365737877660e-01 5*0.0 -8.220855798710e-01 -9.330693858730e-01 0.0 -6.618158252590e-02 -8.974403885280e-01
|
||||
5*0.0 7.917276727910e-01 1.100361176920e+00 0.0 -4.315967982780e-01 8.990243877400e-01 5*0.0 -8.077143378960e-01 -9.279331404810e-01 0.0 -7.131614339880e-02 -8.920028843410e-01
|
||||
5*0.0 7.600486140290e-01 1.086841435890e+00 0.0 -4.224107930850e-01 8.641367819730e-01 5*0.0 -7.929249284250e-01 -9.226173239620e-01 0.0 -7.663115099430e-02 -8.865576384450e-01
|
||||
5*0.0 7.284142784800e-01 1.073136770750e+00 0.0 -4.119574991170e-01 8.318048343620e-01 5*0.0 -7.777398408240e-01 -9.171272078020e-01 0.0 -8.211957018950e-02 -8.811137445780e-01
|
||||
5*0.0 6.968924806240e-01 1.059271561230e+00 0.0 -4.003650243080e-01 8.019152754180e-01 5*0.0 -7.621815791860e-01 -9.114681179150e-01 0.0 -8.777376673420e-02 -8.756790896830e-01
|
||||
5*0.0 6.655455379890e-01 1.045268984220e+00 0.0 -3.877552079510e-01 7.743501484880e-01 5*0.0 -7.462726122990e-01 -9.056454241690e-01 0.0 -9.358558026030e-02 -8.702604334430e-01
|
||||
5*0.0 6.344305234230e-01 1.031151036890e+00 0.0 -3.742435229680e-01 7.489888316080e-01 5*0.0 -7.300353271120e-01 -8.996645304400e-01 0.0 -9.954639335420e-02 -8.648634877340e-01
|
||||
5*0.0 6.035995223350e-01 1.016938563600e+00 0.0 -3.599390623620e-01 7.257096985210e-01 5*0.0 -7.134919853600e-01 -8.935308651640e-01 0.0 -1.056471966260e-01 -8.594929949200e-01
|
||||
5*0.0 5.730998892860e-01 1.002651286110e+00 0.0 -3.449445934240e-01 7.043914720010e-01 5*0.0 -6.966646835000e-01 -8.872498723970e-01 0.0 -1.118786499090e-01 -8.541528044840e-01
|
||||
5*0.0 5.429745023390e-01 9.883078360640e-01 0.0 -3.293566647030e-01 6.849143163410e-01 5*0.0 -6.795753156760e-01 -8.808270033600e-01 0.0 -1.182311396320e-01 -8.488459473060e-01
|
||||
5*0.0 5.132620132880e-01 9.739257895080e-01 0.0 -3.132657535870e-01 6.671607102070e-01 5*0.0 -6.622455394570e-01 -8.742677084440e-01 0.0 -1.246948324100e-01 -8.435747072710e-01
|
||||
5*0.0 4.839970911390e-01 9.595217022560e-01 0.0 -2.967564438180e-01 6.510161312900e-01 5*0.0 -6.446967446910e-01 -8.675774297030e-01 0.0 -1.312597251740e-01 -8.383406897110e-01
|
||||
5*0.0 4.552106590440e-01 9.451111465280e-01 0.0 -2.799076255270e-01 6.363695848730e-01 5*0.0 -6.269500247280e-01 -8.607615937680e-01 0.0 -1.379156916850e-01 -8.331448867550e-01
|
||||
5*0.0 4.269301229140e-01 9.307087474780e-01 0.0 -2.627927100580e-01 6.231140034520e-01 5*0.0 -6.090261503380e-01 -8.538256052010e-01 0.0 -1.446525258730e-01 -8.279877392030e-01
|
||||
5*0.0 3.991795913550e-01 9.163282202950e-01 0.0 -2.454798552800e-01 6.111465330510e-01 5*0.0 -5.909455460230e-01 -8.467748402660e-01 0.0 -1.514599818820e-01 -8.228691949920e-01
|
||||
5*0.0 3.719800872440e-01 9.019824068300e-01 0.0 -2.280321956050e-01 6.003687307910e-01 5*0.0 -5.727282685860e-01 -8.396146410990e-01 0.0 -1.583278111970e-01 -8.177887641950e-01
|
||||
5*0.0 3.453497492830e-01 8.876833120340e-01 0.0 -2.105080744130e-01 5.906866859200e-01 5*0.0 -5.543939879150e-01 -8.323503102670e-01 0.0 -1.652457967980e-01 -8.127455705600e-01
|
||||
5*0.0 3.193040254170e-01 8.734421397490e-01 0.0 -1.929612758630e-01 5.820110791090e-01 5*0.0 -5.359619697940e-01 -8.249871056920e-01 0.0 -1.722037846690e-01 -8.077383996720e-01
|
||||
5*0.0 2.938558565660e-01 8.592693279770e-01 0.0 -1.754412536990e-01 5.742571906430e-01 5*0.0 -5.174510606350e-01 -8.175302359380e-01 0.0 -1.791917126080e-01 -8.027657438100e-01
|
||||
5*0.0 2.690158521920e-01 8.451745831370e-01 0.0 -1.579933568130e-01 5.673448678630e-01 5*0.0 -4.988796740560e-01 -8.099848558310e-01 0.0 -1.861996366930e-01 -7.978258435930e-01
|
||||
5*0.0 2.447924559010e-01 8.311669138500e-01 0.0 -1.406590475360e-01 5.611984586860e-01 5*0.0 -4.802657791380e-01 -8.023560624110e-01 0.0 -1.932177553050e-01 -7.929167265450e-01
|
||||
5*0.0 2.211921044180e-01 8.172546633460e-01 0.0 -1.234761152300e-01 5.557467192720e-01 5*0.0 -4.616268903180e-01 -7.946488911910e-01 0.0 -2.002364310490e-01 -7.880362426870e-01
|
||||
5*0.0 1.982193766000e-01 8.034455412750e-01 0.0 -1.064788828680e-01 5.509227011430e-01 5*0.0 -4.429800587390e-01 -7.868683127150e-01 0.0 -2.072462105250e-01 -7.831820973200e-01
|
||||
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|
||||
5*0.0 -2.296074840810e-05 3.349600539360e-07 0.0 4.267478785840e-05 1.428598390150e-05 5*0.0 2.458589706590e-05 2.931357019050e-06 0.0 -1.250950656110e-04 6.769619090730e-06
|
||||
5*0.0 -2.233423788540e-05 2.877710999830e-07 0.0 4.236815020400e-05 1.343041296370e-05 5*0.0 2.344707340420e-05 2.974650084290e-06 0.0 -1.237469035560e-04 8.587899684490e-06
|
||||
5*0.0 -2.172471239610e-05 2.420418603170e-07 0.0 4.206055613190e-05 1.258194728080e-05 5*0.0 2.232572727830e-05 3.015449869460e-06 0.0 -1.223841305750e-04 1.037912376960e-05
|
||||
5*0.0 -2.113137741920e-05 1.977294819700e-07 0.0 4.175167732830e-05 1.174059753440e-05 5*0.0 2.122176792660e-05 3.053807403790e-06 0.0 -1.210073510990e-04 1.214317779490e-05
|
||||
5*0.0 -2.055347826280e-05 1.547929698940e-07 0.0 4.144121030460e-05 1.090637864980e-05 5*0.0 2.013511034440e-05 3.089773000580e-06 0.0 -1.196171663840e-04 1.387995960560e-05
|
||||
5*0.0 -1.999029909820e-05 1.131931495490e-07 0.0 4.112887743110e-05 1.007931435260e-05 5*0.0 1.906567275850e-05 3.123396753890e-06 0.0 -1.182141775470e-04 1.558937701950e-05
|
||||
5*0.0 -1.944116146780e-05 7.289282245580e-08 0.0 4.081442436790e-05 9.259433096860e-06 5*0.0 1.801337970550e-05 3.154727285710e-06 0.0 -1.167989832400e-04 1.727134556460e-05
|
||||
5*0.0 -1.890542164610e-05 3.385607570740e-08 0.0 4.049762007260e-05 8.446770000980e-06 5*0.0 1.697815577730e-05 3.183813922300e-06 0.0 -1.153721782100e-04 1.892579408780e-05
|
||||
5*0.0 -1.838247015960e-05 -3.951126290990e-09 0.0 4.017825475590e-05 7.641363373460e-06 5*0.0 1.595993043630e-05 3.210704215780e-06 0.0 -1.139343538150e-04 2.055266103030e-05
|
||||
5*0.0 -1.787173029630e-05 -4.056149584600e-08 0.0 3.985614030330e-05 6.843258842900e-06 5*0.0 1.495863479550e-05 3.235445864940e-06 0.0 -1.124860988050e-04 2.215189197640e-05
|
||||
5*0.0 -1.737265505890e-05 -7.600649454550e-08 0.0 3.953110700000e-05 6.052502561370e-06 5*0.0 1.397419846200e-05 3.258086461390e-06 0.0 -1.110279929260e-04 2.372344872170e-05
|
||||
5*0.0 -1.688472895320e-05 -1.103158686140e-07 0.0 3.920300516100e-05 5.269146943570e-06 5*0.0 1.300655847130e-05 3.278671540320e-06 0.0 -1.095606173880e-04 2.526729626170e-05
|
||||
5*0.0 -1.640746365510e-05 -1.435184875630e-07 0.0 3.887170333130e-05 4.493246938580e-06 5*0.0 1.205564709190e-05 3.297247928820e-06 0.0 -1.080845458620e-04 2.678341235710e-05
|
||||
5*0.0 -1.594039785770e-05 -1.756419235430e-07 0.0 3.853708527160e-05 3.724859232400e-06 5*0.0 1.112139847250e-05 3.313860932540e-06 0.0 -1.066003432540e-04 2.827178662030e-05
|
||||
102
tests/DFTB/nonscc/bh
Normal file
102
tests/DFTB/nonscc/bh
Normal file
|
|
@ -0,0 +1,102 @@
|
|||
0.1, 100,
|
||||
0.0, +0.101483 -0.064831 +0.006837 +0.004692 4*0.0, 4.00, 3.0, 9*0.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
8*0., -0.3478 -0.2262,8*0., 0.3197 0.6484
|
||||
8*0., -0.3990 -0.2826,8*0., 0.3863 0.6486
|
||||
8*0., -0.4366 -0.3292,8*0., 0.4452 0.6469
|
||||
8*0., -0.4622 -0.3654,8*0., 0.4958 0.6428
|
||||
8*0., -0.4776 -0.3916,8*0., 0.5376 0.6360
|
||||
8*0., -0.4846 -0.4087,8*0., 0.5707 0.6262
|
||||
8*0., -0.4847 -0.4178,8*0., 0.5950 0.6134
|
||||
8*0., -0.4793 -0.4203,8*0., 0.6111 0.5977
|
||||
8*0., -0.4695 -0.4173,8*0., 0.6192 0.5792
|
||||
8*0., -0.4565 -0.4097,8*0., 0.6201 0.5582
|
||||
8*0., -0.4410 -0.3986,8*0., 0.6145 0.5349
|
||||
8*0., -0.4238 -0.3847,8*0., 0.6031 0.5098
|
||||
8*0., -0.4054 -0.3687,8*0., 0.5867 0.4833
|
||||
8*0., -0.3863 -0.3513,8*0., 0.5662 0.4557
|
||||
8*0., -0.3668 -0.3329,8*0., 0.5421 0.4274
|
||||
8*0., -0.3471 -0.3139,8*0., 0.5154 0.3988
|
||||
8*0., -0.3276 -0.2947,8*0., 0.4867 0.3702
|
||||
8*0., -0.3084 -0.2756,8*0., 0.4566 0.3420
|
||||
8*0., -0.2896 -0.2567,8*0., 0.4258 0.3144
|
||||
8*0., -0.2712 -0.2382,8*0., 0.3947 0.2876
|
||||
8*0., -0.2533 -0.2202,8*0., 0.3639 0.2619
|
||||
8*0., -0.2361 -0.2030,8*0., 0.3336 0.2374
|
||||
8*0., -0.2194 -0.1865,8*0., 0.3043 0.2142
|
||||
8*0., -0.2035 -0.1708,8*0., 0.2761 0.1925
|
||||
8*0., -0.1881 -0.1559,8*0., 0.2493 0.1722
|
||||
8*0., -0.1735 -0.1418,8*0., 0.2241 0.1533
|
||||
8*0., -0.1595 -0.1287,8*0., 0.2004 0.1360
|
||||
8*0., -0.1463 -0.1164,8*0., 0.1784 0.1201
|
||||
8*0., -0.1337 -0.1049,8*0., 0.1581 0.1057
|
||||
8*0., -0.1218 -0.0943,8*0., 0.1395 0.0926
|
||||
8*0., -0.1107 -0.0844,8*0., 0.1226 0.0808
|
||||
8*0., -0.1002 -0.0754,8*0., 0.1072 0.0702
|
||||
8*0., -0.0904 -0.0671,8*0., 0.0934 0.0607
|
||||
8*0., -0.0814 -0.0596,8*0., 0.0811 0.0523
|
||||
8*0., -0.0729 -0.0527,8*0., 0.0701 0.0449
|
||||
8*0., -0.0651 -0.0465,8*0., 0.0603 0.0384
|
||||
8*0., -0.0580 -0.0408,8*0., 0.0517 0.0327
|
||||
8*0., -0.0514 -0.0358,8*0., 0.0442 0.0278
|
||||
8*0., -0.0454 -0.0312,8*0., 0.0376 0.0235
|
||||
8*0., -0.0400 -0.0272,8*0., 0.0319 0.0197
|
||||
8*0., -0.0351 -0.0236,8*0., 0.0270 0.0165
|
||||
8*0., -0.0306 -0.0204,8*0., 0.0228 0.0138
|
||||
8*0., -0.0267 -0.0175,8*0., 0.0192 0.0115
|
||||
8*0., -0.0231 -0.0150,8*0., 0.0161 0.0095
|
||||
8*0., -0.0200 -0.0129,8*0., 0.0135 0.0078
|
||||
8*0., -0.0171 -0.0110,8*0., 0.0112 0.0064
|
||||
8*0., -0.0147 -0.0093,8*0., 0.0094 0.0052
|
||||
8*0., -0.0125 -0.0079,8*0., 0.0078 0.0042
|
||||
8*0., -0.0106 -0.0066,8*0., 0.0065 0.0034
|
||||
8*0., -0.0090 -0.0056,8*0., 0.0054 0.0027
|
||||
8*0., -0.0076 -0.0046,8*0., 0.0045 0.0022
|
||||
8*0., -0.0064 -0.0039,8*0., 0.0038 0.0017
|
||||
8*0., -0.0053 -0.0032,8*0., 0.0031 0.0014
|
||||
8*0., -0.0044 -0.0026,8*0., 0.0026 0.0011
|
||||
8*0., -0.0037 -0.0022,8*0., 0.0022 0.0008
|
||||
8*0., -0.0030 -0.0018,8*0., 0.0018 0.0006
|
||||
8*0., -0.0025 -0.0015,8*0., 0.0015 0.0005
|
||||
8*0., -0.0020 -0.0012,8*0., 0.0013 0.0004
|
||||
8*0., -0.0017 -0.0010,8*0., 0.0011 0.0003
|
||||
8*0., -0.0014 -0.0008,8*0., 0.0009 0.0002
|
||||
8*0., -0.0011 -0.0006,8*0., 0.0007 0.0002
|
||||
8*0., -0.0009 -0.0005,8*0., 0.0006 0.0001
|
||||
8*0., -0.0007 -0.0004,8*0., 0.0005 0.0001
|
||||
8*0., -0.0006 -0.0003,8*0., 0.0004 0.0001
|
||||
8*0., -0.0005 -0.0003,8*0., 0.0003 0.0000
|
||||
8*0., -0.0004 -0.0002,8*0., 0.0002 0.0000
|
||||
8*0., -0.0003 -0.0002,8*0., 0.0002 0.0000
|
||||
8*0., -0.0003 -0.0001,8*0., 0.0001 0.0000
|
||||
8*0., -0.0002 -0.0001,8*0., 0.0001 0.0000
|
||||
8*0., -0.0002 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
|
||||
501
tests/DFTB/nonscc/bn
Normal file
501
tests/DFTB/nonscc/bn
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500
|
||||
0.0, 0.242583 -0.698821 0.903016 -0.471580 -0.016866 0.119945 -0.044928 0.005361 4.300000, 3.6, 9*0.0,
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
20*1.0
|
||||
5*0.0 9.861020803050e-01 1.317981979760e+00 0.0 -6.346161414170e-01 1.065634785730e+00 5*0.0 -8.147954206060e-01 -9.155294437720e-01 0.0 -2.187909341410e-02 -8.570521110150e-01
|
||||
5*0.0 9.461025754450e-01 1.301226285440e+00 0.0 -6.269950126530e-01 1.021136164880e+00 5*0.0 -8.004015142700e-01 -9.103917656780e-01 0.0 -2.571974446010e-02 -8.520308776790e-01
|
||||
5*0.0 9.060408944040e-01 1.284173823970e+00 0.0 -6.170955717510e-01 9.802175161870e-01 5*0.0 -7.855439813270e-01 -9.050562436860e-01 0.0 -2.983080871960e-02 -8.470148113110e-01
|
||||
5*0.0 8.660283156530e-01 1.266863054450e+00 0.0 -6.051367918890e-01 9.427211082430e-01 5*0.0 -7.702492661190e-01 -8.995291006360e-01 0.0 -3.420411105250e-02 -8.420138072870e-01
|
||||
5*0.0 8.261668118400e-01 1.249330467350e+00 0.0 -5.913276708950e-01 9.084777582810e-01 5*0.0 -7.545437993540e-01 -8.938166240450e-01 0.0 -3.883049021270e-02 -8.370361576430e-01
|
||||
5*0.0 7.865494618890e-01 1.231610614230e+00 0.0 -5.758668260880e-01 8.773110533890e-01 5*0.0 -7.384539278240e-01 -8.879251512030e-01 0.0 -4.369992050350e-02 -8.320886707660e-01
|
||||
5*0.0 7.472608752330e-01 1.213736146820e+00 0.0 -5.589422987740e-01 8.490407772380e-01 5*0.0 -7.220058497590e-01 -8.818610551110e-01 0.0 -4.880162709070e-02 -8.271767906800e-01
|
||||
5*0.0 7.083776227000e-01 1.195737863030e+00 0.0 -5.407315189310e-01 8.234856731800e-01 5*0.0 -7.052255556140e-01 -8.756307312530e-01 0.0 -5.412419467790e-02 -8.223047143310e-01
|
||||
5*0.0 6.699686672050e-01 1.177644758610e+00 0.0 -5.214013909490e-01 8.004656550910e-01 5*0.0 -6.881387740750e-01 -8.692405851820e-01 0.0 -5.965566955120e-02 -8.174755056970e-01
|
||||
5*0.0 6.320957910120e-01 1.159484082920e+00 0.0 -5.011084698620e-01 7.798035578890e-01 5*0.0 -6.707709230460e-01 -8.626970209000e-01 0.0 -6.538365488110e-02 -8.126912057570e-01
|
||||
5*0.0 5.948140158930e-01 1.141281397580e+00 0.0 -4.799992028980e-01 7.613265072390e-01 5*0.0 -6.531470653870e-01 -8.560064300010e-01 0.0 -7.129539941180e-02 -8.079529376900e-01
|
||||
5*0.0 5.581720137460e-01 1.123060637440e+00 0.0 -4.582102193020e-01 7.448669730250e-01 5*0.0 -6.352918691470e-01 -8.491751815740e-01 0.0 -7.737787960690e-02 -8.032610067870e-01
|
||||
5*0.0 5.222125073760e-01 1.104844172310e+00 0.0 -4.358686527530e-01 7.302635624550e-01 5*0.0 -6.172295720420e-01 -8.422096128080e-01 0.0 -8.361787546850e-02 -7.986149948050e-01
|
||||
5*0.0 4.869726567210e-01 1.086652870220e+00 0.0 -4.130924865140e-01 7.173615970400e-01 5*0.0 -5.989839499380e-01 -8.351160203030e-01 0.0 -9.000204021660e-02 -7.940138485810e-01
|
||||
5*0.0 4.524844362780e-01 1.068506159560e+00 0.0 -3.899909135600e-01 7.060135127810e-01 5*0.0 -5.805782890790e-01 -8.279006520350e-01 0.0 -9.651696406740e-02 -7.894559628310e-01
|
||||
5*0.0 4.187749936920e-01 1.050422092350e+00 0.0 -3.666647050390e-01 6.960791141910e-01 5*0.0 -5.620353618240e-01 -8.205696999610e-01 0.0 -1.031492323860e-01 -7.849392571750e-01
|
||||
5*0.0 3.858669987180e-01 1.032417405740e+00 0.0 -3.432065832650e-01 6.874257090050e-01 5*0.0 -5.433774056500e-01 -8.131292932220e-01 0.0 -1.098854784900e-01 -7.804612474750e-01
|
||||
5*0.0 3.537789743540e-01 1.014507583620e+00 0.0 -3.197015956210e-01 6.799281455940e-01 5*0.0 -5.246261051860e-01 -8.055854919320e-01 0.0 -1.167124313900e-01 -7.760191116350e-01
|
||||
5*0.0 3.225256158760e-01 9.967069162750e-01 0.0 -2.962274882250e-01 6.734687700840e-01 5*0.0 -5.058025770650e-01 -7.979442814990e-01 0.0 -1.236169587500e-01 -7.716097500400e-01
|
||||
5*0.0 2.921180938000e-01 9.790285591790e-01 0.0 -2.728550745490e-01 6.679373207860e-01 5*0.0 -4.869273573640e-01 -7.902115674780e-01 0.0 -1.305861053910e-01 -7.672298408710e-01
|
||||
5*0.0 2.625643411960e-01 9.614845907100e-01 0.0 -2.496486017340e-01 6.632307700470e-01 5*0.0 -4.680203914350e-01 -7.823931709060e-01 0.0 -1.376071275870e-01 -7.628758905080e-01
|
||||
5*0.0 2.338693289660e-01 9.440860674900e-01 0.0 -2.266661091950e-01 6.592531265850e-01 5*0.0 -4.491010259360e-01 -7.744948240990e-01 0.0 -1.446675234820e-01 -7.585442792990e-01
|
||||
5*0.0 2.060353234490e-01 9.268430789430e-01 0.0 -2.039597816640e-01 6.559152056400e-01 5*0.0 -4.301880028650e-01 -7.665221668820e-01 0.0 -1.517550598670e-01 -7.542313029340e-01
|
||||
5*0.0 1.790621323450e-01 9.097647994640e-01 0.0 -1.815762933860e-01 6.531343757700e-01 5*0.0 -4.112994554300e-01 -7.584807432380e-01 0.0 -1.588577956130e-01 -7.499332097150e-01
|
||||
5*0.0 1.529473339220e-01 8.928595394170e-01 0.0 -1.595571456020e-01 6.508342873330e-01 5*0.0 -3.924529055510e-01 -7.503759983180e-01 0.0 -1.659641019780e-01 -7.456462338720e-01
|
||||
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|
||||
5*0.0 -4.924666486620e-05 1.556723964330e-06 0.0 5.829203715480e-05 6.056329974780e-06 5*0.0 1.822487442780e-04 1.533257607090e-06 0.0 -1.244518588930e-04 4.213976550740e-05
|
||||
5*0.0 -4.893972740190e-05 1.452719380770e-06 0.0 5.762767913900e-05 4.814768381100e-06 5*0.0 1.797445180660e-04 1.901768326090e-06 0.0 -1.208846969610e-04 4.437710169070e-05
|
||||
5*0.0 -4.862887606380e-05 1.349774042310e-06 0.0 5.695301974620e-05 3.584236152820e-06 5*0.0 1.772246448340e-04 2.263620762480e-06 0.0 -1.173222195220e-04 4.657721053440e-05
|
||||
5*0.0 -4.831375595160e-05 1.247889614850e-06 0.0 5.626817618010e-05 2.364907285370e-06 5*0.0 1.746902302150e-04 2.618825361910e-06 0.0 -1.137655465050e-04 4.873994226290e-05
|
||||
5*0.0 -4.799404575830e-05 1.147068799260e-06 0.0 5.557328421810e-05 1.156954481950e-06 5*0.0 1.721423715430e-04 2.967393871540e-06 0.0 -1.102157845560e-04 5.086516251470e-05
|
||||
5*0.0 -4.766945534220e-05 1.047314777170e-06 0.0 5.486849436130e-05 -3.945123393700e-08 5*0.0 1.695821528860e-04 3.309340575170e-06 0.0 -1.066740167340e-04 5.295275180110e-05
|
||||
5*0.0 -4.733972290060e-05 9.486310760550e-07 0.0 5.415397092590e-05 -1.224140501080e-06 5*0.0 1.670106430890e-04 3.644682125250e-06 0.0 -1.031413040580e-04 5.500260458390e-05
|
||||
5*0.0 -4.700461651250e-05 8.510220800890e-07 0.0 5.342989256340e-05 -2.396946266930e-06 5*0.0 1.644289009580e-04 3.973436380880e-06 0.0 -9.961868807580e-05 5.701463041890e-05
|
||||
5*0.0 -4.666393088490e-05 7.544921787300e-07 0.0 5.269645161070e-05 -3.557704089640e-06 5*0.0 1.618379700740e-04 4.295624084690e-06 0.0 -9.610719035820e-05 5.898875372500e-05
|
||||
5*0.0 -4.631748649420e-05 6.590463763960e-07 0.0 5.195385140830e-05 -4.706251938490e-06 5*0.0 1.592388799540e-04 4.611267337550e-06 0.0 -9.260781024770e-05 6.092491212090e-05
|
||||
5*0.0 -4.596512793430e-05 5.646897872660e-07 0.0 5.120230616050e-05 -5.842430734480e-06 5*0.0 1.566326442800e-04 4.920390468670e-06 0.0 -8.912152364580e-05 6.282305720760e-05
|
||||
5*0.0 -4.560672429620e-05 4.714279619090e-07 0.0 5.044204132920e-05 -6.966084603430e-06 5*0.0 1.540202632820e-04 5.223019341660e-06 0.0 -8.564928713730e-05 6.468315463550e-05
|
||||
5*0.0 -4.524216618800e-05 3.792665354590e-07 0.0 4.967329184430e-05 -8.077060885890e-06 5*0.0 1.514027209510e-04 5.519181699910e-06 0.0 -8.219203576610e-05 6.650518310340e-05
|
||||
5*0.0 -4.487136612730e-05 2.882113485570e-07 0.0 4.889630183520e-05 -9.175210610750e-06 5*0.0 1.487809862350e-04 5.808907026570e-06 0.0 -7.875068209650e-05 6.828913525700e-05
|
||||
502
tests/DFTB/nonscc/cb
Normal file
502
tests/DFTB/nonscc/cb
Normal file
|
|
@ -0,0 +1,502 @@
|
|||
0.02, 500,
|
||||
0.0, +0.082090, -0.008619, -0.202760, +0.266137, -0.11655, +0.018196, +0.000244,
|
||||
0.0, 4.0, 3.6, 9*0.0,
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 8.862675351100e-01 1.139548688380e+00 0.0 -1.788547073870e-01 1.020028614370e+00 5*0.0 -8.494840023190e-01 -9.427824159780e-01 0.0 -1.500173051820e-01 -9.082492938990e-01
|
||||
5*0.0 8.549197583680e-01 1.126742253640e+00 0.0 -1.686891686380e-01 9.768810429260e-01 5*0.0 -8.360162332410e-01 -9.380208540750e-01 0.0 -1.583636100550e-01 -9.028597719110e-01
|
||||
5*0.0 8.233778980230e-01 1.113670393630e+00 0.0 -1.574624034830e-01 9.365737877660e-01 5*0.0 -8.220855798710e-01 -9.330693858730e-01 0.0 -1.667702665500e-01 -8.974403885280e-01
|
||||
5*0.0 7.917276727910e-01 1.100361176920e+00 0.0 -1.452903107670e-01 8.990243877400e-01 5*0.0 -8.077143378960e-01 -9.279331404810e-01 0.0 -1.752301515790e-01 -8.920028843410e-01
|
||||
5*0.0 7.600486140290e-01 1.086841435890e+00 0.0 -1.322839712290e-01 8.641367819730e-01 5*0.0 -7.929249284250e-01 -9.226173239620e-01 0.0 -1.837357126130e-01 -8.865576384450e-01
|
||||
5*0.0 7.284142784800e-01 1.073136770750e+00 0.0 -1.185492987150e-01 8.318048343620e-01 5*0.0 -7.777398408240e-01 -9.171272078020e-01 0.0 -1.922790307830e-01 -8.811137445780e-01
|
||||
5*0.0 6.968924806240e-01 1.059271561230e+00 0.0 -1.041868101030e-01 8.019152754180e-01 5*0.0 -7.621815791860e-01 -9.114681179150e-01 0.0 -2.008518809260e-01 -8.756790896830e-01
|
||||
5*0.0 6.655455379890e-01 1.045268984220e+00 0.0 -8.929149411000e-02 7.743501484880e-01 5*0.0 -7.462726122990e-01 -9.056454241690e-01 0.0 -2.094457885710e-01 -8.702604334430e-01
|
||||
5*0.0 6.344305234230e-01 1.031151036890e+00 0.0 -7.395276051560e-02 7.489888316080e-01 5*0.0 -7.300353271120e-01 -8.996645304400e-01 0.0 -2.180520836900e-01 -8.648634877340e-01
|
||||
5*0.0 6.035995223350e-01 1.016938563600e+00 0.0 -5.825445440920e-02 7.257096985210e-01 5*0.0 -7.134919853600e-01 -8.935308651640e-01 0.0 -2.266619514260e-01 -8.594929949200e-01
|
||||
5*0.0 5.730998892860e-01 1.002651286110e+00 0.0 -4.227492508410e-02 7.043914720010e-01 5*0.0 -6.966646835000e-01 -8.872498723970e-01 0.0 -2.352664794340e-01 -8.541528044840e-01
|
||||
5*0.0 5.429745023390e-01 9.883078360640e-01 0.0 -2.608713520190e-02 6.849143163410e-01 5*0.0 -6.795753156760e-01 -8.808270033600e-01 0.0 -2.438567022000e-01 -8.488459473060e-01
|
||||
5*0.0 5.132620132880e-01 9.739257895080e-01 0.0 -9.758805453850e-03 6.671607102070e-01 5*0.0 -6.622455394570e-01 -8.742677084440e-01 0.0 -2.524236421040e-01 -8.435747072710e-01
|
||||
5*0.0 4.839970911390e-01 9.595217022560e-01 0.0 6.647418058250e-03 6.510161312900e-01 5*0.0 -6.446967446910e-01 -8.675774297030e-01 0.0 -2.609583475080e-01 -8.383406897110e-01
|
||||
5*0.0 4.552106590440e-01 9.451111465280e-01 0.0 2.307377420330e-02 6.363695848730e-01 5*0.0 -6.269500247280e-01 -8.607615937680e-01 0.0 -2.694519277570e-01 -8.331448867550e-01
|
||||
5*0.0 4.269301229140e-01 9.307087474780e-01 0.0 3.946718785580e-02 6.231140034520e-01 5*0.0 -6.090261503380e-01 -8.538256052010e-01 0.0 -2.778955853790e-01 -8.279877392030e-01
|
||||
5*0.0 3.991795913550e-01 9.163282202950e-01 0.0 5.577905818910e-02 6.111465330510e-01 5*0.0 -5.909455460230e-01 -8.467748402660e-01 0.0 -2.862806452970e-01 -8.228691949920e-01
|
||||
5*0.0 3.719800872440e-01 9.019824068300e-01 0.0 7.196504444450e-02 6.003687307910e-01 5*0.0 -5.727282685860e-01 -8.396146410990e-01 0.0 -2.945985815670e-01 -8.177887641950e-01
|
||||
5*0.0 3.453497492830e-01 8.876833120340e-01 0.0 8.798484766760e-02 5.906866859200e-01 5*0.0 -5.543939879150e-01 -8.323503102670e-01 0.0 -3.028410412910e-01 -8.127455705600e-01
|
||||
5*0.0 3.193040254170e-01 8.734421397490e-01 0.0 1.038019941880e-01 5.820110791090e-01 5*0.0 -5.359619697940e-01 -8.249871056920e-01 0.0 -3.109998662100e-01 -8.077383996720e-01
|
||||
5*0.0 2.938558565660e-01 8.592693279770e-01 0.0 1.193836205430e-01 5.742571906430e-01 5*0.0 -5.174510606350e-01 -8.175302359380e-01 0.0 -3.190671118400e-01 -8.027657438100e-01
|
||||
5*0.0 2.690158521920e-01 8.451745831370e-01 0.0 1.347002627590e-01 5.673448678630e-01 5*0.0 -4.988796740560e-01 -8.099848558310e-01 0.0 -3.270350644490e-01 -7.978258435930e-01
|
||||
5*0.0 2.447924559010e-01 8.311669138500e-01 0.0 1.497256504460e-01 5.611984586860e-01 5*0.0 -4.802657791380e-01 -8.023560624110e-01 0.0 -3.348962558290e-01 -7.929167265450e-01
|
||||
5*0.0 2.211921044180e-01 8.172546633460e-01 0.0 1.644365076340e-01 5.557467192720e-01 5*0.0 -4.616268903180e-01 -7.946488911910e-01 0.0 -3.426434761780e-01 -7.880362426870e-01
|
||||
5*0.0 1.982193766000e-01 8.034455412750e-01 0.0 1.788123582060e-01 5.509227011430e-01 5*0.0 -4.429800587390e-01 -7.868683127150e-01 0.0 -3.502697850130e-01 -7.831820973200e-01
|
||||
5*0.0 1.758771353990e-01 7.897466545870e-01 0.0 1.928353427230e-01 5.466636213580e-01 5*0.0 -4.243418650280e-01 -7.790192294060e-01 0.0 -3.577685204060e-01 -7.783518811080e-01
|
||||
5*0.0 1.541666626760e-01 7.761645368050e-01 0.0 2.064900384280e-01 5.429107220530e-01 5*0.0 -4.057284134210e-01 -7.711064726580e-01 0.0 -3.651333065420e-01 -7.735430976160e-01
|
||||
5*0.0 1.330877858770e-01 7.627051771810e-01 0.0 2.197632902460e-01 5.396091202370e-01 5*0.0 -3.871553270170e-01 -7.631348002240e-01 0.0 -3.723580597890e-01 -7.687531884460e-01
|
||||
5*0.0 1.126389975560e-01 7.493740480760e-01 0.0 2.326440474780e-01 5.367076527310e-01 5*0.0 -3.686377442540e-01 -7.551088938100e-01 0.0 -3.794369933300e-01 -7.639795561060e-01
|
||||
5*0.0 9.281756905810e-02 7.361761317320e-01 0.0 2.451232099680e-01 5.341587165850e-01 5*0.0 -3.501903163700e-01 -7.470333569270e-01 0.0 -3.863646205060e-01 -7.592195847400e-01
|
||||
5*0.0 7.361965697360e-02 7.231159459200e-01 0.0 2.571934813000e-01 5.319181084270e-01 5*0.0 -3.318272059380e-01 -7.389127129400e-01 0.0 -3.931357569830e-01 -7.544706588830e-01
|
||||
5*0.0 5.504040362630e-02 7.101975686120e-01 0.0 2.688492298920e-01 5.299448632600e-01 5*0.0 -3.135620861940e-01 -7.307514033410e-01 0.0 -3.997455217770e-01 -7.497301803260e-01
|
||||
5*0.0 3.707403181780e-02 6.974246616520e-01 0.0 2.800863574900e-01 5.282010947850e-01 5*0.0 -2.954081412980e-01 -7.225537862100e-01 0.0 -4.061893373170e-01 -7.449955832560e-01
|
||||
5*0.0 1.971393333270e-02 6.848004936010e-01 0.0 2.909021752200e-01 5.266518372750e-01 5*0.0 -2.773780672610e-01 -7.143241348780e-01 0.0 -4.124629285310e-01 -7.402643477140e-01
|
||||
5*0.0 2.952752894210e-03 6.723279614780e-01 0.0 3.012952863400e-01 5.252648914170e-01 5*0.0 -2.594840737670e-01 -7.060666367240e-01 0.0 -4.185623211880e-01 -7.355340117790e-01
|
||||
5*0.0 -1.321753361500e-02 6.600096115760e-01 0.0 3.112654764940e-01 5.240106721790e-01 5*0.0 -2.417378864530e-01 -6.977853921870e-01 0.0 -4.244838393880e-01 -7.308021818260e-01
|
||||
5*0.0 -2.880554685600e-02 6.478476598280e-01 0.0 3.208136097160e-01 5.228620623990e-01 5*0.0 -2.241507499420e-01 -6.894844139000e-01 0.0 -4.302241024660e-01 -7.260665421350e-01
|
||||
5*0.0 -4.382043336010e-02 6.358440104020e-01 0.0 3.299415315600e-01 5.217942697320e-01 5*0.0 -2.067334313850e-01 -6.811676259910e-01 0.0 -4.357800212210e-01 -7.213248628400e-01
|
||||
5*0.0 -5.827180359730e-02 6.240002745730e-01 0.0 3.386519777430e-01 5.207846892740e-01 5*0.0 -1.894962244010e-01 -6.728388635100e-01 0.0 -4.411487936080e-01 -7.165750069090e-01
|
||||
5*0.0 -7.216967119050e-02 6.123177879810e-01 0.0 3.469484885480e-01 5.198127706050e-01 5*0.0 -1.724489537710e-01 -6.645018719900e-01 0.0 -4.463279000200e-01 -7.118149361130e-01
|
||||
5*0.0 -8.552439658950e-02 6.007976272400e-01 0.0 3.548353297530e-01 5.188598899970e-01 5*0.0 -1.556009802600e-01 -6.561603071420e-01 0.0 -4.513150980490e-01 -7.070427160290e-01
|
||||
5*0.0 -9.834663637500e-02 5.894406261310e-01 0.0 3.623174171020e-01 5.179092285340e-01 5*0.0 -1.389612060380e-01 -6.478177346350e-01 0.0 -4.561084169600e-01 -7.022565201650e-01
|
||||
5*0.0 -1.106472950130e-01 5.782473907450e-01 0.0 3.694002473100e-01 5.169456542770e-01 5*0.0 -1.225380803180e-01 -6.394776300290e-01 0.0 -4.607061517720e-01 -6.974546332970e-01
|
||||
5*0.0 -1.224374790800e-01 5.672183137750e-01 0.0 3.760898331260e-01 5.159556114290e-01 5*0.0 -1.063396054610e-01 -6.311433787610e-01 0.0 -4.651068571210e-01 -6.926354540440e-01
|
||||
5*0.0 -1.337284569530e-01 5.563535885960e-01 0.0 3.823926429940e-01 5.149270129790e-01 5*0.0 -9.037334323700e-02 -6.228182762760e-01 0.0 -4.693093408400e-01 -6.877974968290e-01
|
||||
5*0.0 -1.445316211910e-01 5.456532223870e-01 0.0 3.883155449910e-01 5.138491392710e-01 5*0.0 -7.464642146580e-02 -6.145055282050e-01 0.0 -4.733126573740e-01 -6.829393930840e-01
|
||||
5*0.0 -1.548584519800e-01 5.351170485730e-01 0.0 3.938657547040e-01 5.127125425220e-01 5*0.0 -5.916554088290e-02 -6.062082506520e-01 0.0 -4.771161010250e-01 -6.780598922600e-01
|
||||
5*0.0 -1.647204857570e-01 5.247447385980e-01 0.0 3.990507873510e-01 5.115089543620e-01 5*0.0 -4.393698217310e-02 -5.979294705520e-01 0.0 -4.807191990490e-01 -6.731578617050e-01
|
||||
5*0.0 -1.741292851740e-01 5.145358134310e-01 0.0 4.038784131100e-01 5.102311999280e-01 5*0.0 -2.896661327120e-02 -5.896721261050e-01 0.0 -4.841217046640e-01 -6.682322866500e-01
|
||||
5*0.0 -1.830964120240e-01 5.044896541570e-01 0.0 4.083566156520e-01 5.088731159530e-01 5*0.0 -1.425989680110e-02 -5.814390672810e-01 0.0 -4.873235899760e-01 -6.632822695110e-01
|
||||
5*0.0 -1.916334031860e-01 4.946055123930e-01 0.0 4.124935546780e-01 5.074294731790e-01 5*0.0 1.781022415550e-04 -5.732330563660e-01 0.0 -4.903250388750e-01 -6.583070288400e-01
|
||||
5*0.0 -1.997517461560e-01 4.848825194520e-01 0.0 4.162975306860e-01 5.058959037510e-01 5*0.0 1.434270884740e-02 -5.650567686290e-01 0.0 -4.931264398290e-01 -6.533058979400e-01
|
||||
5*0.0 -2.074628608510e-01 4.753196960790e-01 0.0 4.197769526440e-01 5.042688325080e-01 5*0.0 2.822962997110e-02 -5.569127929680e-01 0.0 -4.957283787790e-01 -6.482783231860e-01
|
||||
5*0.0 -2.147780791550e-01 4.659159606170e-01 0.0 4.229403092120e-01 5.025454123780e-01 5*0.0 4.183494660080e-02 -5.488036326690e-01 0.0 -4.981316318880e-01 -6.432238620340e-01
|
||||
5*0.0 -2.217086296490e-01 4.566701375430e-01 0.0 4.257961410700e-01 5.007234635390e-01 5*0.0 5.515510558820e-02 -5.407317061770e-01 0.0 -5.003371584870e-01 -6.381421808030e-01
|
||||
5*0.0 -2.282656219480e-01 4.475809651200e-01 0.0 4.283530165140e-01 4.988014168390e-01 5*0.0 6.818691149080e-02 -5.326993479380e-01 0.0 -5.023460938980e-01 -6.330330522340e-01
|
||||
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|
||||
5*0.0 -8.715584156630e-05 4.895578318400e-06 0.0 4.925904226700e-05 6.007970699590e-05 5*0.0 9.380837941120e-05 -2.161899459570e-06 0.0 -3.721233655900e-05 -9.384833316190e-05
|
||||
5*0.0 -8.410295369020e-05 4.691717051510e-06 0.0 4.743846845220e-05 5.868459168460e-05 5*0.0 9.157279070680e-05 -1.948276312630e-06 0.0 -3.465283056010e-05 -9.110046176980e-05
|
||||
5*0.0 -8.117411647710e-05 4.495491991210e-06 0.0 4.568103487750e-05 5.731642582540e-05 5*0.0 8.938197459130e-05 -1.740586431720e-06 0.0 -3.213669704730e-05 -8.836757406340e-05
|
||||
5*0.0 -7.836420489280e-05 4.306579548870e-06 0.0 4.398406204960e-05 5.597387010120e-05 5*0.0 8.723410444950e-05 -1.538691483430e-06 0.0 -2.966338574940e-05 -8.564995315110e-05
|
||||
5*0.0 -7.566827955950e-05 4.124670095160e-06 0.0 4.234498233900e-05 5.465565409340e-05 5*0.0 8.512745712180e-05 -1.342458549000e-06 0.0 -2.723238210900e-05 -8.294789551690e-05
|
||||
5*0.0 -7.308158102870e-05 3.949467664300e-06 0.0 4.076133544180e-05 5.336057385080e-05 5*0.0 8.306040777710e-05 -1.151759589580e-06 0.0 -2.484320609480e-05 -8.026171017870e-05
|
||||
5*0.0 -7.059952523130e-05 3.780689260640e-06 0.0 3.923076364850e-05 5.208748915410e-05 5*0.0 8.103142415650e-05 -9.664710156310e-07 0.0 -2.249540744880e-05 -7.759171349320e-05
|
||||
5*0.0 -6.821769747750e-05 3.618064578600e-06 0.0 3.775101027490e-05 5.083532111200e-05 5*0.0 7.903906450550e-05 -7.864739068760e-07 0.0 -2.018856604640e-05 -7.493823450360e-05
|
||||
5*0.0 -6.593184745870e-05 3.461335049040e-06 0.0 3.631991371430e-05 4.960304872900e-05 5*0.0 7.708197051620e-05 -6.116532506470e-07 0.0 -1.792228598810e-05 -7.230160531090e-05
|
||||
5*0.0 -6.373788429420e-05 3.310253816690e-06 0.0 3.493540597660e-05 4.838970758950e-05 5*0.0 7.515886563390e-05 -4.418981575070e-07 0.0 -1.569619844520e-05 -6.968216722000e-05
|
||||
5*0.0 -6.163187196990e-05 3.164585083520e-06 0.0 3.359550932990e-05 4.719439054150e-05 5*0.0 7.326854982930e-05 -2.771014837690e-07 0.0 -1.350995774530e-05 -6.708026662790e-05
|
||||
5*0.0 -5.961002327330e-05 3.024103375380e-06 0.0 3.229833096180e-05 4.601623927450e-05 5*0.0 7.140989571150e-05 -1.171593022670e-07 0.0 -1.136323581120e-05 -6.449624996850e-05
|
||||
5*0.0 -5.766869639900e-05 2.888593711620e-06 0.0 3.104206182900e-05 4.485444473110e-05 5*0.0 6.958184593280e-05 3.802857732620e-08 0.0 -9.255726730070e-06 -6.193047095630e-05
|
||||
5*0.0 -5.580439036630e-05 2.757850636180e-06 0.0 2.982497340440e-05 4.370825009310e-05 5*0.0 6.778340772880e-05 1.885596799700e-07 0.0 -7.187141038500e-06 -5.938328233900e-05
|
||||
5*0.0 -5.401373868680e-05 2.631677905690e-06 0.0 2.864541318990e-05 4.257693950690e-05 5*0.0 6.601365146910e-05 3.345282630380e-07 0.0 -5.157204366980e-06 -5.685503799730e-05
|
||||
5*0.0 -5.229350778810e-05 2.509888488390e-06 0.0 2.750180426530e-05 4.145984392860e-05 5*0.0 6.427170693080e-05 4.760257592050e-07 0.0 -3.165658659410e-06 -5.434609290500e-05
|
||||
5*0.0 -5.064059059450e-05 2.392303636190e-06 0.0 2.639264020420e-05 4.035633501200e-05 5*0.0 6.255675912330e-05 6.131411905920e-07 0.0 -1.212257668340e-06 -5.185679951200e-05
|
||||
5*0.0 -4.905200325260e-05 2.278752861410e-06 0.0 2.531648406010e-05 3.926582607730e-05 5*0.0 6.086804657180e-05 7.459609786350e-07 0.0 7.032329367200e-07 -4.938750996540e-05
|
||||
5*0.0 -4.752488086060e-05 2.169073448790e-06 0.0 2.427196374410e-05 3.818776701250e-05 5*0.0 5.920485743270e-05 8.745692147980e-07 0.0 2.581037978780e-06 -4.693857148030e-05
|
||||
5*0.0 -4.605647422920e-05 2.063110341210e-06 0.0 2.325777227230e-05 3.712164607100e-05 5*0.0 5.756652786210e-05 9.990477234370e-07 0.0 4.421371697640e-06 -4.451033072040e-05
|
||||
5*0.0 -4.464414503600e-05 1.960715440570e-06 0.0 2.227266263430e-05 3.606698611060e-05 5*0.0 5.595243809630e-05 1.119476327130e-06 0.0 6.224441983400e-06 -4.210312826660e-05
|
||||
5*0.0 -4.328536193940e-05 1.861747494250e-06 0.0 2.131544683710e-05 3.502334194970e-05 5*0.0 5.436201088350e-05 1.235932786590e-06 0.0 7.990448038410e-06 -3.971730104840e-05
|
||||
5*0.0 -4.197769903020e-05 1.766071986880e-06 0.0 2.038499347180e-05 3.399030391780e-05 5*0.0 5.279470870030e-05 1.348493056650e-06 0.0 9.719584231140e-06 -3.735318152420e-05
|
||||
5*0.0 -4.071882958700e-05 1.673560489010e-06 0.0 1.948022479050e-05 3.296748921780e-05 5*0.0 5.125003129060e-05 1.457231284830e-06 0.0 1.141203965510e-05 -3.501109500100e-05
|
||||
5*0.0 -3.950652429650e-05 1.584090554980e-06 0.0 1.860011531470e-05 3.195454620720e-05 5*0.0 4.972751363640e-05 1.562219958680e-06 0.0 1.306799977530e-05 -3.269136104950e-05
|
||||
5*0.0 -3.833864765410e-05 1.497545533930e-06 0.0 1.774368951910e-05 3.095115042890e-05 5*0.0 4.822672388040e-05 1.663530013030e-06 0.0 1.468764586060e-05 -3.039429353440e-05
|
||||
5*0.0 -3.721315424180e-05 1.413814195500e-06 0.0 1.691001881910e-05 2.995700254880e-05 5*0.0 4.674726083330e-05 1.761230887220e-06 0.0 1.627115858220e-05 -2.812019715590e-05
|
||||
5*0.0 -3.612808633170e-05 1.332790511050e-06 0.0 1.609822192690e-05 2.897183117910e-05 5*0.0 4.528875298910e-05 1.855390500580e-06 0.0 1.781871390580e-05 -2.586937152780e-05
|
||||
5*0.0 -3.508156964970e-05 1.254373339900e-06 0.0 1.530745972520e-05 2.799538516630e-05 5*0.0 4.385085506790e-05 1.946075698490e-06 0.0 1.933049070500e-05 -2.364210546280e-05
|
||||
5*0.0 -3.407181166790e-05 1.178466438880e-06 0.0 1.453693622600e-05 2.702743818070e-05 5*0.0 4.243324828240e-05 2.033351749520e-06 0.0 2.080666413500e-05 -2.143868230120e-05
|
||||
5*0.0 -3.309709779190e-05 1.104977871280e-06 0.0 1.378589541800e-05 2.606778475280e-05 5*0.0 4.103563698530e-05 2.117282897950e-06 0.0 2.224741167870e-05 -1.925937531870e-05
|
||||
5*0.0 -3.215578932790e-05 1.033820277750e-06 0.0 1.305362005890e-05 2.511623964880e-05 5*0.0 3.965774765140e-05 2.197932237700e-06 0.0 2.365290994760e-05 -1.710444917650e-05
|
||||
5*0.0 -3.124631978940e-05 9.649102033910e-07 0.0 1.233942948180e-05 2.417263684230e-05 5*0.0 3.829932752900e-05 2.275361710800e-06 0.0 2.502333873250e-05 -1.497415930590e-05
|
||||
5*0.0 -3.036719315100e-05 8.981682103320e-07 0.0 1.164267823420e-05 2.323682871640e-05 5*0.0 3.696014310420e-05 2.349632221660e-06 0.0 2.635887813660e-05 -1.286875257330e-05
|
||||
5*0.0 -2.951698040820e-05 8.335185042200e-07 0.0 1.096275456070e-05 2.230868398010e-05 5*0.0 3.563997799870e-05 2.420803851700e-06 0.0 2.765971149530e-05 -1.078846504030e-05
|
||||
5*0.0 -2.869431785050e-05 7.708889359230e-07 0.0 1.029907909730e-05 2.138808818870e-05 5*0.0 3.433863282490e-05 2.488935516440e-06 0.0 2.892602452650e-05 -8.733523692270e-06
|
||||
5*0.0 -2.789790432330e-05 7.102107290230e-07 0.0 9.651102838890e-06 2.047494227120e-05 5*0.0 3.305592301500e-05 2.554085409320e-06 0.0 3.015800567130e-05 -6.704145930320e-06
|
||||
5*0.0 -2.712649874540e-05 6.514182658520e-07 0.0 9.018306821820e-06 1.956916200660e-05 5*0.0 3.179167800370e-05 2.616310805500e-06 0.0 3.135584717200e-05 -4.700538305130e-06
|
||||
5*0.0 -2.637891774200e-05 5.944490819870e-07 0.0 8.400199074520e-06 1.867067445280e-05 5*0.0 3.054574020150e-05 2.675668004620e-06 0.0 3.251974444270e-05 -2.722899146520e-06
|
||||
5*0.0 -2.565403391980e-05 5.392435142470e-07 0.0 7.796315180940e-06 1.777942184580e-05 5*0.0 2.931796318990e-05 2.732213072680e-06 0.0 3.364989561190e-05 -7.714124924850e-07
|
||||
5*0.0 -2.495077296740e-05 4.857447337830e-07 0.0 7.206215276580e-06 1.689535719710e-05 5*0.0 2.810821109990e-05 2.786000761600e-06 0.0 3.474650827910e-05 1.153742790600e-06
|
||||
5*0.0 -2.426811259650e-05 4.338986734520e-07 0.0 6.629484360830e-06 1.601844438630e-05 5*0.0 2.691635923280e-05 2.837084935150e-06 0.0 3.580978797510e-05 3.052403108040e-06
|
||||
5*0.0 -2.360507979100e-05 3.836535441570e-07 0.0 6.065730758400e-06 1.514865870890e-05 5*0.0 2.574229113390e-05 2.885519411720e-06 0.0 3.683994607870e-05 4.924410125890e-06
|
||||
5*0.0 -2.296074840810e-05 3.349600539360e-07 0.0 5.514583827360e-06 1.428598390150e-05 5*0.0 2.458589706590e-05 2.931357019050e-06 0.0 3.783720243050e-05 6.769619090730e-06
|
||||
5*0.0 -2.233423788540e-05 2.877710999830e-07 0.0 4.975693545520e-06 1.343041296370e-05 5*0.0 2.344707340420e-05 2.974650084290e-06 0.0 3.880178035320e-05 8.587899684490e-06
|
||||
5*0.0 -2.172471239610e-05 2.420418603170e-07 0.0 4.448730856280e-06 1.258194728080e-05 5*0.0 2.232572727830e-05 3.015449869460e-06 0.0 3.973390472320e-05 1.037912376960e-05
|
||||
5*0.0 -2.113137741920e-05 1.977294819700e-07 0.0 3.933384984680e-06 1.174059753440e-05 5*0.0 2.122176792660e-05 3.053807403790e-06 0.0 4.063380937800e-05 1.214317779490e-05
|
||||
5*0.0 -2.055347826280e-05 1.547929698940e-07 0.0 3.429362408100e-06 1.090637864980e-05 5*0.0 2.013511034440e-05 3.089773000580e-06 0.0 4.150173210910e-05 1.387995960560e-05
|
||||
5*0.0 -1.999029909820e-05 1.131931495490e-07 0.0 2.936386942180e-06 1.007931435260e-05 5*0.0 1.906567275850e-05 3.123396753890e-06 0.0 4.233791621480e-05 1.558937701950e-05
|
||||
5*0.0 -1.944116146780e-05 7.289282245580e-08 0.0 2.454198400860e-06 9.259433096860e-06 5*0.0 1.801337970550e-05 3.154727285710e-06 0.0 4.314260966250e-05 1.727134556460e-05
|
||||
5*0.0 -1.890542164610e-05 3.385607570740e-08 0.0 1.982551734030e-06 8.446770000980e-06 5*0.0 1.697815577730e-05 3.183813922300e-06 0.0 4.391606626460e-05 1.892579408780e-05
|
||||
5*0.0 -1.838247015960e-05 -3.951126290990e-09 0.0 1.521215991220e-06 7.641363373460e-06 5*0.0 1.595993043630e-05 3.210704215780e-06 0.0 4.465854475110e-05 2.055266103030e-05
|
||||
5*0.0 -1.787173029630e-05 -4.056149584600e-08 0.0 1.069974281760e-06 6.843258842900e-06 5*0.0 1.495863479550e-05 3.235445864940e-06 0.0 4.537030983880e-05 2.215189197640e-05
|
||||
5*0.0 -1.737265505890e-05 -7.600649454550e-08 0.0 6.286208691470e-07 6.052502561370e-06 5*0.0 1.397419846200e-05 3.258086461390e-06 0.0 4.605163322430e-05 2.372344872170e-05
|
||||
5*0.0 -1.688472895320e-05 -1.103158686140e-07 0.0 1.969644445070e-07 5.269146943570e-06 5*0.0 1.300655847130e-05 3.278671540320e-06 0.0 4.670278632860e-05 2.526729626170e-05
|
||||
5*0.0 -1.640746365510e-05 -1.435184875630e-07 0.0 -2.251766354660e-07 4.493246938580e-06 5*0.0 1.205564709190e-05 3.297247928820e-06 0.0 4.732405145180e-05 2.678341235710e-05
|
||||
5*0.0 -1.594039785770e-05 -1.756419235430e-07 0.0 -6.379732616910e-07 3.724859232400e-06 5*0.0 1.112139847250e-05 3.313860932540e-06 0.0 4.791571376350e-05 2.827178662030e-05
|
||||
502
tests/DFTB/nonscc/cc
Normal file
502
tests/DFTB/nonscc/cc
Normal file
|
|
@ -0,0 +1,502 @@
|
|||
0.02, 500,
|
||||
0.0 -0.1974 -0.4988, 0.0 3*0.0 0.0 2.0 2.0 T F
|
||||
12.01, 0.022617, 0.065777, -0.091987, 0.039218, 4*0.0, 4.1, 3.5, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -1.036010207540e+00 -1.394207449120e+00 0.0 3.325723084640e-01 -1.202036511120e+00 5*0.0 8.378773951860e-01 9.440897954820e-01 0.0 1.204254538910e-01 9.212970852790e-01
|
||||
5*0.0 -9.928647585920e-01 -1.376123651690e+00 0.0 3.187464641610e-01 -1.152958705260e+00 5*0.0 8.227229931900e-01 9.386732165450e-01 0.0 1.280080646150e-01 9.154730196860e-01
|
||||
5*0.0 -9.496602203050e-01 -1.357720859910e+00 0.0 3.033420473220e-01 -1.107582640220e+00 5*0.0 8.070854115090e-01 9.330491288870e-01 0.0 1.357171551400e-01 9.096360562410e-01
|
||||
5*0.0 -9.065170756960e-01 -1.339040769600e+00 0.0 2.865471890120e-01 -1.065752217900e+00 5*0.0 7.909929570390e-01 9.272242063690e-01 0.0 1.435430064900e-01 9.037978318360e-01
|
||||
5*0.0 -8.635456745650e-01 -1.320122934390e+00 0.0 2.685402693450e-01 -1.027298726510e+00 5*0.0 7.744739117580e-01 9.212051897410e-01 0.0 1.514752986600e-01 8.979683133610e-01
|
||||
5*0.0 -8.208467062860e-01 -1.301004798530e+00 0.0 2.494895811290e-01 -9.920453049390e-01 5*0.0 7.575564587100e-01 9.149988707710e-01 0.0 1.595032105650e-01 8.921559137490e-01
|
||||
5*0.0 -7.785116854450e-01 -1.281721740370e+00 0.0 2.295531909220e-01 -9.598105783270e-01 5*0.0 7.402686138050e-01 9.086120773010e-01 0.0 1.676155135480e-01 8.863676085370e-01
|
||||
5*0.0 -7.366234466390e-01 -1.262307124160e+00 0.0 2.088789534150e-01 -9.304116023830e-01 5*0.0 7.226381633130e-01 9.020516591940e-01 0.0 1.758006585500e-01 8.806090511720e-01
|
||||
5*0.0 -6.952566355540e-01 -1.242792358480e+00 0.0 1.876046463460e-01 -9.036662309200e-01 5*0.0 7.046926066900e-01 8.953244751720e-01 0.0 1.840468570120e-01 8.748846859240e-01
|
||||
5*0.0 -6.544781933680e-01 -1.223206959540e+00 0.0 1.658582005940e-01 -8.793949834690e-01 5*0.0 6.864591045000e-01 8.884373804840e-01 0.0 1.923421556690e-01 8.691978574780e-01
|
||||
5*0.0 -6.143478299660e-01 -1.203578617530e+00 0.0 1.437579979910e-01 -8.574225146830e-01 5*0.0 6.679644311320e-01 8.813972153850e-01 0.0 2.006745054340e-01 8.635509164030e-01
|
||||
5*0.0 -5.749184804650e-01 -1.183933265410e+00 0.0 1.214132204420e-01 -8.375787375580e-01 5*0.0 6.492349320040e-01 8.742107943910e-01 0.0 2.090318245500e-01 8.579453200600e-01
|
||||
5*0.0 -5.362367464270e-01 -1.164295148670e+00 0.0 9.892423390350e-02 -8.196996648440e-01 5*0.0 6.302964853080e-01 8.668848963080e-01 0.0 2.174020563580e-01 8.523817284660e-01
|
||||
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5*0.0 8.971838999870e-02 -1.890393768720e-02 0.0 -7.657439644750e-02 -5.953329757400e-02 5*0.0 -1.091114377820e-01 1.956264656640e-02 0.0 7.628235495490e-02 5.067149286720e-02
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5*0.0 8.803035248070e-02 -1.838578213220e-02 0.0 -7.488812868080e-02 -5.806110134140e-02 5*0.0 -1.066890713880e-01 1.894985914250e-02 0.0 7.436996572650e-02 4.927778159680e-02
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5*0.0 7.686025403200e-02 -1.510594795380e-02 0.0 -6.390933642770e-02 -4.860271320830e-02 5*0.0 -9.077763664580e-02 1.512326344270e-02 0.0 6.202549868020e-02 4.040271225260e-02
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5*0.0 7.535501763440e-02 -1.468367141660e-02 0.0 -6.245448072910e-02 -4.736645374930e-02 5*0.0 -8.865291821690e-02 1.463791401390e-02 0.0 6.040552297830e-02 3.925403282130e-02
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5*0.0 7.387193036030e-02 -1.427217231160e-02 0.0 -6.102692915400e-02 -4.615744960280e-02 5*0.0 -8.656488588080e-02 1.416674458450e-02 0.0 5.882004645840e-02 3.813351662690e-02
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5*0.0 3.065730876120e-02 -4.296853365630e-03 0.0 -2.235440530490e-02 -1.521876483610e-02 5*0.0 -2.969661099940e-02 3.537100034690e-03 0.0 1.827341919230e-02 1.091098608270e-02
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5*0.0 2.920763449050e-02 -4.032571013460e-03 0.0 -2.117160789510e-02 -1.434118136980e-02 5*0.0 -2.799136670090e-02 3.287108425760e-03 0.0 1.714678638910e-02 1.020313974010e-02
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5*0.0 2.850402629570e-02 -3.906081644630e-03 0.0 -2.060076926450e-02 -1.391957038610e-02 5*0.0 -2.717063051630e-02 3.168391642820e-03 0.0 1.660684941170e-02 9.865154549870e-03
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5*0.0 2.781431408780e-02 -3.783230680170e-03 0.0 -2.004329400410e-02 -1.350906915460e-02 5*0.0 -2.637061594050e-02 3.053689325930e-03 0.0 1.608202460520e-02 9.537424803480e-03
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5*0.0 2.713830608480e-02 -3.663923784060e-03 0.0 -1.949892856380e-02 -1.310942539030e-02 5*0.0 -2.559092482550e-02 2.942877178620e-03 0.0 1.557196314050e-02 9.219680164760e-03
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5*0.0 2.647581115030e-02 -3.548068787230e-03 0.0 -1.896742263180e-02 -1.272039132820e-02 5*0.0 -2.483116213470e-02 2.835834302840e-03 0.0 1.507632161080e-02 8.911655882390e-03
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5*0.0 2.582663882680e-02 -3.435575638290e-03 0.0 -1.844852907810e-02 -1.234172373460e-02 5*0.0 -2.409093610600e-02 2.732443122530e-03 0.0 1.459476204290e-02 8.613092727550e-03
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5*0.0 2.519059938400e-02 -3.326356363150e-03 0.0 -1.794200401550e-02 -1.197318381530e-02 5*0.0 -2.336985840500e-02 2.632589308290e-03 0.0 1.412695190290e-02 8.323736930700e-03
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5*0.0 2.456750383730e-02 -3.220325016970e-03 0.0 -1.744760671660e-02 -1.161453718020e-02 5*0.0 -2.266754426930e-02 2.536161703220e-03 0.0 1.367256409760e-02 8.043340116750e-03
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5*0.0 2.395716408170e-02 -3.117397663910e-03 0.0 -1.696509971610e-02 -1.126555378690e-02 5*0.0 -2.198361264360e-02 2.443052249810e-03 0.0 1.323127697230e-02 7.771659239400e-03
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5*0.0 2.335939279000e-02 -3.017492302870e-03 0.0 -1.649424870190e-02 -1.092600789030e-02 5*0.0 -2.131768630580e-02 2.353155918090e-03 0.0 1.280277430410e-02 7.508456514360e-03
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5*0.0 2.277400358230e-02 -2.920528860000e-03 0.0 -1.603482259140e-02 -1.059567802050e-02 5*0.0 -2.066939198540e-02 2.266370634910e-03 0.0 1.238674529180e-02 7.253499351600e-03
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5*0.0 2.220081098760e-02 -2.826429128630e-03 0.0 -1.558659346940e-02 -1.027434687970e-02 5*0.0 -2.003836047290e-02 2.182597214280e-03 0.0 1.198288454150e-02 7.006560286930e-03
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5*0.0 2.163963053110e-02 -2.735116742320e-03 0.0 -1.514933662160e-02 -9.961801333070e-03 5*0.0 -1.942422672140e-02 2.101739288960e-03 0.0 1.159089204910e-02 6.767416912590e-03
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5*0.0 2.109027874770e-02 -2.646517135090e-03 0.0 -1.472283050390e-02 -9.657832333040e-03 5*0.0 -1.882662994120e-02 2.023703243160e-03 0.0 1.121047318010e-02 6.535851807470e-03
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5*0.0 2.055257322170e-02 -2.560557500590e-03 0.0 -1.430685674130e-02 -9.362234882300e-03 5*0.0 -1.824521368560e-02 1.948398146400e-03 0.0 1.084133864470e-02 6.311652466420e-03
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5*0.0 2.002633262610e-02 -2.477166761170e-03 0.0 -1.390120010880e-02 -9.074807977650e-03 5*0.0 -1.767962593050e-02 1.875735688500e-03 0.0 1.048320447170e-02 6.094611229420e-03
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5*0.0 1.951137677380e-02 -2.396275529470e-03 0.0 -1.350564853600e-02 -8.795354551780e-03 5*0.0 -1.712951914730e-02 1.805630115750e-03 0.0 1.013579197780e-02 5.884525210010e-03
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5*0.0 1.900752663930e-02 -2.317816077440e-03 0.0 -1.311999308000e-02 -8.523681419280e-03 5*0.0 -1.659455036730e-02 1.737998168130e-03 0.0 9.798827735640e-03 5.681196223570e-03
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5*0.0 1.851460436920e-02 -2.241722292300e-03 0.0 -1.274402791010e-02 -8.259599245700e-03 5*0.0 -1.607438124200e-02 1.672759017800e-03 0.0 9.472043538260e-03 5.484430715280e-03
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5*0.0 1.803243336930e-02 -2.167929656610e-03 0.0 -1.237755032340e-02 -8.002922469660e-03 5*0.0 -1.556867809500e-02 1.609834208570e-03 0.0 9.155176361680e-03 5.294039687660e-03
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5*0.0 1.756083829620e-02 -2.096375207400e-03 0.0 -1.202036067520e-02 -7.753469257970e-03 5*0.0 -1.507711196910e-02 1.549147596610e-03 0.0 8.847968324820e-03 5.109838628310e-03
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5*0.0 1.709964508980e-02 -2.026997501760e-03 0.0 -1.167226241650e-02 -7.511061461740e-03 5*0.0 -1.459935866710e-02 1.490625292220e-03 0.0 8.550166647600e-03 4.931647437380e-03
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5*0.0 1.664868103710e-02 -1.959736593440e-03 0.0 -1.133306204610e-02 -7.275524571460e-03 5*0.0 -1.413509878680e-02 1.434195602730e-03 0.0 8.261523606660e-03 4.759290354850e-03
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5*0.0 1.620777476060e-02 -1.894533993930e-03 0.0 -1.100256911190e-02 -7.046687629520e-03 5*0.0 -1.368401775130e-02 1.379788976430e-03 0.0 7.981796489400e-03 4.592595888160e-03
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5*0.0 1.577675625280e-02 -1.831332641760e-03 0.0 -1.068059616070e-02 -6.824383210000e-03 5*0.0 -1.324580583330e-02 1.327337947740e-03 0.0 7.710747546020e-03 4.431396739650e-03
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5*0.0 1.535545694410e-02 -1.770076880320e-03 0.0 -1.036695876210e-02 -6.608447363300e-03 5*0.0 -1.282015817450e-02 1.276777083290e-03 0.0 7.448143940130e-03 4.275529734310e-03
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5*0.0 1.494370967460e-02 -1.710712419670e-03 0.0 -1.006147545020e-02 -6.398719554560e-03 5*0.0 -1.240677480090e-02 1.228042929200e-03 0.0 7.193757697450e-03 4.124835747590e-03
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5*0.0 1.454134874400e-02 -1.653186315200e-03 0.0 -9.763967737590e-03 -6.195042617200e-03 5*0.0 -1.200536063280e-02 1.181073959340e-03 0.0 6.947365653420e-03 3.979159633500e-03
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5*0.0 1.414820997160e-02 -1.597446927830e-03 0.0 -9.474260052020e-03 -5.997262698060e-03 5*0.0 -1.161562549050e-02 1.135810524740e-03 0.0 6.708749399090e-03 3.838350153050e-03
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5*0.0 1.376413063040e-02 -1.543443910950e-03 0.0 -9.192179757340e-03 -5.805229220610e-03 5*0.0 -1.123728409570e-02 1.092194803930e-03 0.0 6.477695226080e-03 3.702259902790e-03
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5*0.0 1.338894954590e-02 -1.491128166320e-03 0.0 -8.917557109250e-03 -5.618794817450e-03 5*0.0 -1.087005606960e-02 1.050170754350e-03 0.0 6.253994070120e-03 3.570745243940e-03
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5*0.0 1.302250711760e-02 -1.440451840840e-03 0.0 -8.650225227230e-03 -5.437815272620e-03 5*0.0 -1.051366592610e-02 1.009684064890e-03 0.0 6.037441453750e-03 3.443666231830e-03
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5*0.0 1.266464527120e-02 -1.391368269610e-03 0.0 -8.390020076640e-03 -5.262149501260e-03 5*0.0 -1.016784306180e-02 9.706821092250e-04 0.0 5.827837427800e-03 3.320886545750e-03
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5*0.0 1.231520755170e-02 -1.343831971770e-03 0.0 -8.136780458090e-03 -5.091659483520e-03 5*0.0 -9.832321742710e-03 9.331139003410e-04 0.0 5.624986512390e-03 3.202273419280e-03
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5*0.0 1.197403908210e-02 -1.297798616420e-03 0.0 -7.890347961040e-03 -4.926210204460e-03 5*0.0 -9.506841087110e-03 8.969300459530e-04 0.0 5.428697636620e-03 3.087697571120e-03
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5*0.0 1.164098665450e-02 -1.253225007630e-03 0.0 -7.650566958310e-03 -4.765669617590e-03 5*0.0 -9.191145045610e-03 8.620827049010e-04 0.0 5.238784078000e-03 2.977033136530e-03
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5*0.0 1.131589864740e-02 -1.210069039950e-03 0.0 -7.417284554460e-03 -4.609908590160e-03 5*0.0 -8.884982378000e-03 8.285255445270e-04 0.0 5.055063401040e-03 2.870157599160e-03
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5*0.0 1.099862513190e-02 -1.168289696590e-03 0.0 -7.190350587810e-03 -4.458800862960e-03 5*0.0 -8.588106627230e-03 7.962136989820e-04 0.0 4.877357395310e-03 2.766951723640e-03
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5*0.0 1.068901781900e-02 -1.127847006450e-03 0.0 -6.969617585990e-03 -4.312222988640e-03 5*0.0 -8.300276090790e-03 7.651037284920e-04 0.0 4.705492013060e-03 2.667299488680e-03
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5*0.0 1.038693012670e-02 -1.088702039790e-03 0.0 -6.754940760420e-03 -4.170054306000e-03 5*0.0 -8.021253789320e-03 7.351535794990e-04 0.0 4.539297306450e-03 2.571088020910e-03
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5*0.0 1.009221714670e-02 -1.050816865810e-03 0.0 -6.546177945860e-03 -4.032176859150e-03 5*0.0 -7.750807433020e-03 7.063225457760e-04 0.0 4.378607364390e-03 2.478207529230e-03
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5*0.0 9.804735687950e-03 -1.014154544190e-03 0.0 -6.343189589660e-03 -3.898475379290e-03 5*0.0 -7.488709385410e-03 6.785712303570e-04 0.0 4.223260249090e-03 2.388551239990e-03
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5*0.0 9.524344246600e-03 -9.786790978320e-04 0.0 -6.145838739410e-03 -3.768837222510e-03 5*0.0 -7.234736625330e-03 6.518615084280e-04 0.0 4.073097932570e-03 2.302015332750e-03
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5*0.0 9.250903063420e-03 -9.443554880310e-04 0.0 -5.953990993400e-03 -3.643152338690e-03 5*0.0 -6.988670706650e-03 6.261564910340e-04 0.0 3.927966232850e-03 2.218498876930e-03
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5*0.0 8.984274126020e-03 -9.111496079400e-04 0.0 -5.767514482910e-03 -3.521313208360e-03 5*0.0 -6.750297716090e-03 6.014204896530e-04 0.0 3.787714750080e-03 2.137903768980e-03
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5*0.0 8.724321118630e-03 -8.790282380930e-04 0.0 -5.586279836520e-03 -3.403214800410e-03 5*0.0 -6.519408229300e-03 5.776189816070e-04 0.0 3.652196802760e-03 2.060134670470e-03
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5*0.0 8.470909490630e-03 -8.479590444370e-04 0.0 -5.410160157760e-03 -3.288754541460e-03 5*0.0 -6.295797265290e-03 5.547185763300e-04 0.0 3.521269363810e-03 1.985098946870e-03
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5*0.0 8.223906432870e-03 -8.179105519820e-04 0.0 -5.239030990010e-03 -3.177832252490e-03 5*0.0 -6.079264239230e-03 5.326869823970e-04 0.0 3.394792996870e-03 1.912706607140e-03
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5*0.0 7.983180906560e-03 -7.888521279530e-04 0.0 -5.072770300680e-03 -3.070350119310e-03 5*0.0 -5.869612913900e-03 5.114929754060e-04 0.0 3.272631792610e-03 1.842870244110e-03
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5*0.0 7.748603601600e-03 -7.607539548110e-04 0.0 -4.911258423880e-03 -2.966212643030e-03 5*0.0 -5.666651349680e-03 4.911063666000e-04 0.0 3.154653305270e-03 1.775504975620e-03
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5*0.0 7.520046983260e-03 -7.335870193270e-04 0.0 -4.754378073710e-03 -2.865326592240e-03 5*0.0 -5.470191853430e-03 4.714979723020e-04 0.0 3.040728489440e-03 1.710528386540e-03
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5*0.0 7.297385283080e-03 -7.073230930910e-04 0.0 -4.602014266570e-03 -2.767600965660e-03 5*0.0 -5.280050926120e-03 4.526395840710e-04 0.0 2.930731636920e-03 1.647860471570e-03
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5*0.0 7.080494476180e-03 -6.819347109700e-04 0.0 -4.454054333920e-03 -2.672946959040e-03 5*0.0 -5.096049209580e-03 4.345039396460e-04 0.0 2.824540314180e-03 1.587423578820e-03
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5*0.0 6.869252310070e-03 -6.573951516230e-04 0.0 -4.310387859740e-03 -2.581277897110e-03 5*0.0 -4.918011432100e-03 4.170646945770e-04 0.0 2.722035299810e-03 1.529142354350e-03
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5*0.0 6.663538291120e-03 -6.336784265030e-04 0.0 -4.170906670250e-03 -2.492509224720e-03 5*0.0 -4.745766353330e-03 4.002963946030e-04 0.0 2.623100522640e-03 1.472943687460e-03
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5*0.0 6.463233686650e-03 -6.107592590550e-04 0.0 -4.035504801680e-03 -2.406558442340e-03 5*0.0 -4.579146708360e-03 3.841744487290e-04 0.0 2.527623000000e-03 1.418756656760e-03
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5*0.0 6.268221518070e-03 -5.886130664750e-04 0.0 -3.904078461990e-03 -2.323345075370e-03 5*0.0 -4.417989151110e-03 3.686751029880e-04 0.0 2.435492776660e-03 1.366512477290e-03
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5*0.0 5.713796122790e-03 -5.265765959490e-04 0.0 -3.532646744770e-03 -2.089354245990e-03 5*0.0 -3.965713122760e-03 3.256871503750e-04 0.0 2.178130488980e-03 1.220780152510e-03
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5*0.0 5.041865517870e-03 -4.533065702570e-04 0.0 -3.087133806190e-03 -1.811146094260e-03 5*0.0 -3.429899945250e-03 2.757814264630e-04 0.0 1.875677286890e-03 1.049850050330e-03
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5*0.0 4.885191079380e-03 -4.365373107710e-04 0.0 -2.984026574130e-03 -1.747164907460e-03 5*0.0 -3.307009804300e-03 2.645000507810e-04 0.0 1.806710557070e-03 1.010911966980e-03
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5*0.0 4.732834589340e-03 -4.203484383130e-04 0.0 -2.884053769780e-03 -1.685281532750e-03 5*0.0 -3.188278404410e-03 2.536611527850e-04 0.0 1.740227917110e-03 9.733854818060e-04
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5*0.0 4.584696350960e-03 -4.047214651060e-04 0.0 -2.787131725700e-03 -1.625433625070e-03 5*0.0 -3.073578377780e-03 2.432480487350e-04 0.0 1.676146435390e-03 9.372204454000e-04
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5*0.0 4.440678350710e-03 -3.896384292390e-04 0.0 -2.693178621270e-03 -1.567560456520e-03 5*0.0 -2.962785628530e-03 2.332446452650e-04 0.0 1.614385570740e-03 9.023683178260e-04
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5*0.0 4.300684269630e-03 -3.750818907760e-04 0.0 -2.602114457580e-03 -1.511602881510e-03 5*0.0 -2.855779273280e-03 2.236354204440e-04 0.0 1.554867118380e-03 8.687821257460e-04
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|
||||
5*0.0 1.128790705580e-05 -2.849609392930e-07 0.0 -4.562561940720e-06 6.055866828620e-06 5*0.0 1.626103286890e-05 -1.199829170280e-06 0.0 -1.996697606040e-05 -3.795499890700e-05
|
||||
5*0.0 1.067608661730e-05 -2.612951943320e-07 0.0 -4.190336503170e-06 6.167231461080e-06 5*0.0 1.662139784810e-05 -1.162763925050e-06 0.0 -2.035196935350e-05 -3.755376498170e-05
|
||||
5*0.0 1.008799209460e-05 -2.389860641990e-07 0.0 -3.830656157920e-06 6.268679651100e-06 5*0.0 1.695790910630e-05 -1.125123713230e-06 0.0 -2.071705077610e-05 -3.713632635270e-05
|
||||
5*0.0 9.522703872310e-06 -2.179767799860e-07 0.0 -3.483093241380e-06 6.360476785120e-06 5*0.0 1.727114216420e-05 -1.086961442970e-06 0.0 -2.106253408040e-05 -3.670316556780e-05
|
||||
5*0.0 8.979339799170e-06 -1.982122063970e-07 0.0 -3.147239128100e-06 6.442879919380e-06 5*0.0 1.756166028450e-05 -1.048328389390e-06 0.0 -2.138873098110e-05 -3.625476240790e-05
|
||||
5*0.0 8.457057435440e-06 -1.796399835550e-07 0.0 -2.822705390670e-06 6.516138459470e-06 5*0.0 1.783001503680e-05 -1.009274242850e-06 0.0 -2.169595132600e-05 -3.579159379810e-05
|
||||
5*0.0 7.955048048240e-06 -1.622095667200e-07 0.0 -2.509119615790e-06 6.580494249970e-06 5*0.0 1.807674682040e-05 -9.698471434030e-07 0.0 -2.198450324960e-05 -3.531413378650e-05
|
||||
5*0.0 7.472539151460e-06 -1.458726281530e-07 0.0 -2.206127643660e-06 6.636182543210e-06 5*0.0 1.830238537620e-05 -9.300937217780e-07 0.0 -2.225469330740e-05 -3.482285344640e-05
|
||||
5*0.0 7.008790846750e-06 -1.305827811950e-07 0.0 -1.913390966090e-06 6.683431102060e-06 5*0.0 1.850745024480e-05 -8.900591365880e-07 0.0 -2.250682659230e-05 -3.431822083560e-05
|
||||
5*0.0 6.563094722310e-06 -1.162954896040e-07 0.0 -1.630586148100e-06 6.722462565660e-06 5*0.0 1.869245122250e-05 -8.497871102760e-07 0.0 -2.274120685140e-05 -3.380070091180e-05
|
||||
5*0.0 6.134773546580e-06 -1.029680711220e-07 0.0 -1.357405428570e-06 6.753492116740e-06 5*0.0 1.885788875460e-05 -8.093199621750e-07 0.0 -2.295813656880e-05 -3.327075544880e-05
|
||||
5*0.0 5.723178836840e-06 -9.055946113140e-08 0.0 -1.093553806920e-06 6.776730550330e-06 5*0.0 1.900425435130e-05 -7.686986444820e-07 0.0 -2.315791705610e-05 -3.272884299540e-05
|
||||
5*0.0 5.327689310610e-06 -7.903035712930e-08 0.0 -8.387500410650e-07 6.792382922530e-06 5*0.0 1.913203092250e-05 -7.279627702370e-07 0.0 -2.334084851050e-05 -3.217541875840e-05
|
||||
5*0.0 4.947711377320e-06 -6.834291218390e-08 0.0 -5.927257329090e-07 6.800648551460e-06 5*0.0 1.924169313680e-05 -6.871506497060e-07 0.0 -2.350723007860e-05 -3.161093454280e-05
|
||||
5*0.0 4.582676348940e-06 -5.846083448380e-08 0.0 -3.552238414480e-07 6.801722842030e-06 5*0.0 1.933370773200e-05 -6.462993155070e-07 0.0 -2.365735990630e-05 -3.103583867320e-05
|
||||
5*0.0 4.232040530750e-06 -4.934933312550e-08 0.0 -1.259993688400e-07 6.795796142830e-06 5*0.0 1.940853380690e-05 -6.054445536050e-07 0.0 -2.379153516090e-05 -3.045057590730e-05
|
||||
5*0.0 3.895283713960e-06 -4.097486447220e-08 0.0 9.518212113820e-08 6.783054647550e-06 5*0.0 1.946662310240e-05 -5.646209301280e-07 0.0 -2.391005208280e-05 -2.985558734370e-05
|
||||
5*0.0 3.571906043420e-06 -3.330519858090e-08 0.0 3.085456437090e-07 6.763680440750e-06 5*0.0 1.950842025380e-05 -5.238618204180e-07 0.0 -2.401320598020e-05 -2.925131035450e-05
|
||||
5*0.0 3.261431995480e-06 -2.630938807590e-08 0.0 5.143048224100e-07 6.737851262970e-06 5*0.0 1.953436303940e-05 -4.831994337360e-07 0.0 -2.410129126370e-05 -2.863817849870e-05
|
||||
5*0.0 2.963403920740e-06 -1.995779880410e-08 0.0 7.126659719580e-07 6.705742067760e-06 5*0.0 1.954488258530e-05 -4.426648390380e-07 0.0 -2.417460142460e-05 -2.801662142330e-05
|
||||
5*0.0 2.677385194390e-06 -1.422169002950e-08 0.0 9.038248898410e-07 6.667523154800e-06 5*0.0 1.954040359140e-05 -4.022879904210e-07 0.0 -2.423342906280e-05 -2.738706480420e-05
|
||||
5*0.0 2.402956991000e-06 -9.073592626710e-09 0.0 1.087970691610e-06 6.623362717380e-06 5*0.0 1.952134449430e-05 -3.620977486400e-07 0.0 -2.427806584580e-05 -2.674993024330e-05
|
||||
5*0.0 2.139718351260e-06 -4.487119376010e-09 0.0 1.265283859050e-06 6.573424896930e-06 5*0.0 1.948811767410e-05 -3.221219085560e-07 0.0 -2.430880251590e-05 -2.610563519950e-05
|
||||
5*0.0 1.887285675410e-06 -4.366823164020e-10 0.0 1.435937002440e-06 6.517870955060e-06 5*0.0 1.944112958980e-05 -2.823872188970e-07 0.0 -2.432592885940e-05 -2.545459289720e-05
|
||||
5*0.0 1.645291154530e-06 3.102106494470e-09 0.0 1.600096832800e-06 6.456859970800e-06 5*0.0 1.938078094300e-05 -2.429194044790e-07 0.0 -2.432973368360e-05 -2.479721225980e-05
|
||||
101
tests/DFTB/nonscc/cf
Normal file
101
tests/DFTB/nonscc/cf
Normal file
|
|
@ -0,0 +1,101 @@
|
|||
0.1 100
|
||||
0.0 0.0 0.205174 -0.503566 0.656893 -0.416591 0.112599 0.0 0.0 3.5 4.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 1.29165 2.00514 0.0 -0.92074 1.42469 5*0.0 -0.74274 -0.87578 0.0 -0.02962 -0.80946
|
||||
5*0.0 0.91135 1.82385 0.0 -0.72165 1.24115 5*0.0 -0.64719 -0.83977 0.0 -0.06135 -0.78547
|
||||
5*0.0 0.57377 1.64295 0.0 -0.48859 1.15993 5*0.0 -0.54463 -0.79919 0.0 -0.09926 -0.76316
|
||||
5*0.0 0.28834 1.46918 0.0 -0.25939 1.13249 5*0.0 -0.43968 -0.75533 0.0 -0.14030 -0.74186
|
||||
5*0.0 0.05606 1.30652 0.0 -0.05460 1.12667 5*0.0 -0.33611 -0.70937 0.0 -0.18171 -0.72062
|
||||
5*0.0 -0.12678 1.15699 0.0 0.11682 1.12358 5*0.0 -0.23688 -0.66233 0.0 -0.22120 -0.69857
|
||||
5*0.0 -0.26607 1.02131 0.0 0.25293 1.11352 5*0.0 -0.14414 -0.61509 0.0 -0.25707 -0.67508
|
||||
5*0.0 -0.36841 0.89937 0.0 0.35574 1.09263 5*0.0 -0.05940 -0.56836 0.0 -0.28818 -0.64977
|
||||
5*0.0 -0.44027 0.79054 0.0 0.42915 1.06042 5*0.0 0.01640 -0.52272 0.0 -0.31383 -0.62254
|
||||
5*0.0 -0.48751 0.69390 0.0 0.47775 1.01818 5*0.0 0.08282 -0.47864 0.0 -0.33373 -0.59348
|
||||
5*0.0 -0.51525 0.60842 0.0 0.50608 0.96796 5*0.0 0.13973 -0.43645 0.0 -0.34790 -0.56286
|
||||
5*0.0 -0.52778 0.53302 0.0 0.51833 0.91201 5*0.0 0.18734 -0.39640 0.0 -0.35656 -0.53100
|
||||
5*0.0 -0.52867 0.46664 0.0 0.51813 0.85246 5*0.0 0.22603 -0.35866 0.0 -0.36013 -0.49831
|
||||
5*0.0 -0.52080 0.40828 0.0 0.50853 0.79117 5*0.0 0.25638 -0.32333 0.0 -0.35909 -0.46522
|
||||
5*0.0 -0.50648 0.35704 0.0 0.49204 0.72965 5*0.0 0.27903 -0.29046 0.0 -0.35400 -0.43211
|
||||
5*0.0 -0.48753 0.31207 0.0 0.47070 0.66913 5*0.0 0.29471 -0.26005 0.0 -0.34545 -0.39937
|
||||
5*0.0 -0.46539 0.27264 0.0 0.44611 0.61051 5*0.0 0.30418 -0.23205 0.0 -0.33402 -0.36733
|
||||
5*0.0 -0.44119 0.23806 0.0 0.41952 0.55446 5*0.0 0.30821 -0.20640 0.0 -0.32028 -0.33628
|
||||
5*0.0 -0.41580 0.20776 0.0 0.39192 0.50144 5*0.0 0.30755 -0.18301 0.0 -0.30474 -0.30647
|
||||
5*0.0 -0.38988 0.18121 0.0 0.36404 0.45172 5*0.0 0.30293 -0.16176 0.0 -0.28790 -0.27806
|
||||
5*0.0 -0.36394 0.15796 0.0 0.33645 0.40546 5*0.0 0.29502 -0.14256 0.0 -0.27018 -0.25121
|
||||
5*0.0 -0.33838 0.13760 0.0 0.30956 0.36270 5*0.0 0.28447 -0.12526 0.0 -0.25199 -0.22601
|
||||
5*0.0 -0.31348 0.11977 0.0 0.28366 0.32341 5*0.0 0.27186 -0.10974 0.0 -0.23364 -0.20252
|
||||
5*0.0 -0.28944 0.10417 0.0 0.25897 0.28749 5*0.0 0.25771 -0.09586 0.0 -0.21544 -0.18076
|
||||
5*0.0 -0.26643 0.09053 0.0 0.23563 0.25482 5*0.0 0.24250 -0.08350 0.0 -0.19761 -0.16071
|
||||
5*0.0 -0.24453 0.07860 0.0 0.21370 0.22522 5*0.0 0.22662 -0.07253 0.0 -0.18035 -0.14236
|
||||
5*0.0 -0.22381 0.06818 0.0 0.19322 0.19852 5*0.0 0.21044 -0.06283 0.0 -0.16380 -0.12564
|
||||
5*0.0 -0.20431 0.05908 0.0 0.17421 0.17453 5*0.0 0.19425 -0.05428 0.0 -0.14809 -0.11048
|
||||
5*0.0 -0.18603 0.05113 0.0 0.15664 0.15304 5*0.0 0.17830 -0.04676 0.0 -0.13330 -0.09682
|
||||
5*0.0 -0.16897 0.04421 0.0 0.14047 0.13386 5*0.0 0.16278 -0.04018 0.0 -0.11947 -0.08455
|
||||
5*0.0 -0.15310 0.03818 0.0 0.12564 0.11679 5*0.0 0.14787 -0.03443 0.0 -0.10663 -0.07359
|
||||
5*0.0 -0.13839 0.03292 0.0 0.11210 0.10166 5*0.0 0.13366 -0.02942 0.0 -0.09479 -0.06383
|
||||
5*0.0 -0.12479 0.02836 0.0 0.09977 0.08827 5*0.0 0.12026 -0.02508 0.0 -0.08394 -0.05519
|
||||
5*0.0 -0.11227 0.02439 0.0 0.08859 0.07647 5*0.0 0.10772 -0.02133 0.0 -0.07405 -0.04757
|
||||
5*0.0 -0.10076 0.02095 0.0 0.07847 0.06609 5*0.0 0.09607 -0.01809 0.0 -0.06508 -0.04087
|
||||
5*0.0 -0.09022 0.01796 0.0 0.06934 0.05698 5*0.0 0.08533 -0.01530 0.0 -0.05699 -0.03500
|
||||
5*0.0 -0.08060 0.01538 0.0 0.06113 0.04902 5*0.0 0.07547 -0.01291 0.0 -0.04973 -0.02989
|
||||
5*0.0 -0.07183 0.01315 0.0 0.05376 0.04208 5*0.0 0.06649 -0.01086 0.0 -0.04325 -0.02544
|
||||
5*0.0 -0.06386 0.01122 0.0 0.04717 0.03603 5*0.0 0.05836 -0.00912 0.0 -0.03748 -0.02159
|
||||
5*0.0 -0.05664 0.00956 0.0 0.04130 0.03079 5*0.0 0.05102 -0.00764 0.0 -0.03238 -0.01827
|
||||
5*0.0 -0.05012 0.00813 0.0 0.03607 0.02625 5*0.0 0.04445 -0.00638 0.0 -0.02788 -0.01542
|
||||
5*0.0 -0.04423 0.00690 0.0 0.03142 0.02233 5*0.0 0.03858 -0.00532 0.0 -0.02392 -0.01297
|
||||
5*0.0 -0.03895 0.00585 0.0 0.02731 0.01895 5*0.0 0.03337 -0.00442 0.0 -0.02046 -0.01088
|
||||
5*0.0 -0.03421 0.00495 0.0 0.02369 0.01605 5*0.0 0.02877 -0.00367 0.0 -0.01745 -0.00910
|
||||
5*0.0 -0.02997 0.00418 0.0 0.02049 0.01356 5*0.0 0.02471 -0.00303 0.0 -0.01483 -0.00759
|
||||
5*0.0 -0.02619 0.00352 0.0 0.01768 0.01143 5*0.0 0.02116 -0.00250 0.0 -0.01257 -0.00632
|
||||
5*0.0 -0.02283 0.00296 0.0 0.01522 0.00961 5*0.0 0.01806 -0.00206 0.0 -0.01062 -0.00524
|
||||
5*0.0 -0.01985 0.00248 0.0 0.01307 0.00807 5*0.0 0.01536 -0.00170 0.0 -0.00895 -0.00434
|
||||
5*0.0 -0.01721 0.00208 0.0 0.01120 0.00676 5*0.0 0.01303 -0.00139 0.0 -0.00752 -0.00358
|
||||
5*0.0 -0.01489 0.00174 0.0 0.00957 0.00564 5*0.0 0.01101 -0.00114 0.0 -0.00630 -0.00295
|
||||
5*0.0 -0.01284 0.00145 0.0 0.00816 0.00471 5*0.0 0.00928 -0.00093 0.0 -0.00526 -0.00242
|
||||
5*0.0 -0.01105 0.00121 0.0 0.00694 0.00391 5*0.0 0.00780 -0.00076 0.0 -0.00438 -0.00198
|
||||
5*0.0 -0.00948 0.00100 0.0 0.00589 0.00325 5*0.0 0.00654 -0.00062 0.0 -0.00364 -0.00162
|
||||
5*0.0 -0.00812 0.00083 0.0 0.00498 0.00269 5*0.0 0.00547 -0.00050 0.0 -0.00301 -0.00132
|
||||
5*0.0 -0.00693 0.00069 0.0 0.00420 0.00222 5*0.0 0.00456 -0.00041 0.0 -0.00249 -0.00107
|
||||
5*0.0 -0.00590 0.00057 0.0 0.00354 0.00183 5*0.0 0.00379 -0.00033 0.0 -0.00205 -0.00087
|
||||
5*0.0 -0.00501 0.00047 0.0 0.00297 0.00151 5*0.0 0.00315 -0.00026 0.0 -0.00168 -0.00071
|
||||
5*0.0 -0.00424 0.00038 0.0 0.00249 0.00124 5*0.0 0.00261 -0.00021 0.0 -0.00138 -0.00057
|
||||
5*0.0 -0.00358 0.00031 0.0 0.00208 0.00101 5*0.0 0.00215 -0.00017 0.0 -0.00113 -0.00046
|
||||
5*0.0 -0.00302 0.00026 0.0 0.00173 0.00083 5*0.0 0.00178 -0.00014 0.0 -0.00092 -0.00037
|
||||
5*0.0 -0.00254 0.00021 0.0 0.00144 0.00068 5*0.0 0.00146 -0.00011 0.0 -0.00075 -0.00030
|
||||
5*0.0 -0.00212 0.00017 0.0 0.00119 0.00055 5*0.0 0.00120 -0.00009 0.0 -0.00061 -0.00024
|
||||
5*0.0 -0.00178 0.00014 0.0 0.00099 0.00045 5*0.0 0.00099 -0.00007 0.0 -0.00049 -0.00019
|
||||
5*0.0 -0.00148 0.00011 0.0 0.00082 0.00036 5*0.0 0.00081 -0.00006 0.0 -0.00040 -0.00015
|
||||
5*0.0 -0.00123 0.00009 0.0 0.00067 0.00030 5*0.0 0.00067 -0.00004 0.0 -0.00032 -0.00012
|
||||
5*0.0 -0.00102 0.00007 0.0 0.00055 0.00024 5*0.0 0.00055 -0.00003 0.0 -0.00026 -0.00010
|
||||
5*0.0 -0.00085 0.00006 0.0 0.00045 0.00019 5*0.0 0.00045 -0.00003 0.0 -0.00021 -0.00008
|
||||
5*0.0 -0.00070 0.00005 0.0 0.00037 0.00016 5*0.0 0.00037 -0.00002 0.0 -0.00017 -0.00006
|
||||
5*0.0 -0.00058 0.00004 0.0 0.00030 0.00012 5*0.0 0.00030 -0.00002 0.0 -0.00013 -0.00005
|
||||
5*0.0 -0.00047 0.00003 0.0 0.00024 0.00010 5*0.0 0.00025 -0.00001 0.0 -0.00011 -0.00004
|
||||
5*0.0 -0.00039 0.00002 0.0 0.00020 0.00008 5*0.0 0.00020 -0.00001 0.0 -0.00009 -0.00003
|
||||
5*0.0 -0.00032 0.00002 0.0 0.00016 0.00006 5*0.0 0.00016 -0.00001 0.0 -0.00007 -0.00002
|
||||
5*0.0 -0.00026 0.00001 0.0 0.00013 0.00005 5*0.0 0.00013 2*0.0 -0.00005 -0.00002
|
||||
5*0.0 -0.00021 0.00001 0.0 0.00010 0.00004 5*0.0 0.00011 2*0.0 -0.00004 -0.00001
|
||||
5*0.0 -0.00017 0.00001 0.0 0.00008 0.00003 5*0.0 0.00009 2*0.0 -0.00003 -0.00001
|
||||
5*0.0 -0.00014 0.00001 0.0 0.00007 0.00003 5*0.0 0.00007 2*0.0 -0.00003 -0.00001
|
||||
5*0.0 -0.00011 0.00001 0.0 0.00005 0.00002 5*0.0 0.00006 2*0.0 -0.00002 0.0
|
||||
5*0.0 -0.00009 2*0.0 0.00004 0.00002 5*0.0 0.00004 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00007 2*0.0 0.00003 0.00001 5*0.0 0.00003 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00006 2*0.0 0.00003 0.00001 5*0.0 0.00002 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00005 2*0.0 0.00002 0.00001 5*0.0 0.00002 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00004 2*0.0 0.00002 6*0.0 0.00001 4*0.0
|
||||
5*0.0 -0.00003 2*0.0 0.00001 6*0.0 0.00001 4*0.0
|
||||
5*0.0 -0.00002 2*0.0 0.00001 11*0.0
|
||||
5*0.0 -0.00002 2*0.0 0.00001 11*0.0
|
||||
5*0.0 -0.00001 2*0.0 0.00001 6*0.0 -0.00001 4*0.0
|
||||
5*0.0 -0.00001 2*0.0 0.00001 6*0.0 -0.00001 4*0.0
|
||||
5*0.0 -0.00001 9*0.0 -0.00001 4*0.0
|
||||
15*0.0 -0.00001 4*0.0
|
||||
15*0.0 -0.00001 4*0.0
|
||||
15*0.0 -0.00001 4*0.0
|
||||
15*0.0 -0.00002 4*0.0
|
||||
15*0.0 -0.00002 4*0.0
|
||||
15*0.0 -0.00002 4*0.0
|
||||
15*0.0 -0.00002 4*0.0
|
||||
5*0.0 0.00001 9*0.0 -0.00002 4*0.0
|
||||
501
tests/DFTB/nonscc/ch
Normal file
501
tests/DFTB/nonscc/ch
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, 0.068975, -0.013905, -0.024594, 0.013829, 4*0.0, 3.7, 3.0, 9*0.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
8*0.0 4.512491849240e-01 5.141029663700e-01 8*0.0 -3.303081244900e-01 -7.540369794170e-01
|
||||
8*0.0 4.648930364760e-01 5.248434359750e-01 8*0.0 -3.443677939430e-01 -7.528719925600e-01
|
||||
8*0.0 4.776920876870e-01 5.350331077510e-01 8*0.0 -3.581026058210e-01 -7.515932740780e-01
|
||||
8*0.0 4.896655569320e-01 5.446557981720e-01 8*0.0 -3.715039906980e-01 -7.501968821570e-01
|
||||
8*0.0 5.008336536160e-01 5.537006038570e-01 8*0.0 -3.845640434180e-01 -7.486791863760e-01
|
||||
8*0.0 5.112176176130e-01 5.621607756450e-01 8*0.0 -3.972755148140e-01 -7.470368716540e-01
|
||||
8*0.0 5.208394115330e-01 5.700333392040e-01 8*0.0 -4.096318024150e-01 -7.452669405790e-01
|
||||
8*0.0 5.297215984180e-01 5.773185602110e-01 8*0.0 -4.216269401500e-01 -7.433667140310e-01
|
||||
8*0.0 5.378870844010e-01 5.840196174730e-01 8*0.0 -4.332555870780e-01 -7.413338302610e-01
|
||||
8*0.0 5.453591233270e-01 5.901421122010e-01 8*0.0 -4.445130153160e-01 -7.391662424990e-01
|
||||
8*0.0 5.521611350890e-01 5.956937550740e-01 8*0.0 -4.553950970270e-01 -7.368622155250e-01
|
||||
8*0.0 5.583163555940e-01 6.006841191370e-01 8*0.0 -4.658982910650e-01 -7.344203210710e-01
|
||||
8*0.0 5.638481604980e-01 6.051242594900e-01 8*0.0 -4.760196285210e-01 -7.318394324090e-01
|
||||
8*0.0 5.687796470860e-01 6.090265600720e-01 8*0.0 -4.857566985300e-01 -7.291187180420e-01
|
||||
8*0.0 5.731337936660e-01 6.124043864840e-01 8*0.0 -4.951076328290e-01 -7.262576347330e-01
|
||||
8*0.0 5.769332054340e-01 6.152720403920e-01 8*0.0 -5.040710903430e-01 -7.232559200290e-01
|
||||
8*0.0 5.802001981140e-01 6.176444727950e-01 8*0.0 -5.126462413350e-01 -7.201135841460e-01
|
||||
8*0.0 5.829566697440e-01 6.195371836320e-01 8*0.0 -5.208327513530e-01 -7.168309015170e-01
|
||||
8*0.0 5.852241763790e-01 6.209660459030e-01 8*0.0 -5.286307647980e-01 -7.134084019170e-01
|
||||
8*0.0 5.870237814980e-01 6.219472082970e-01 8*0.0 -5.360408884810e-01 -7.098468613400e-01
|
||||
8*0.0 5.883760513160e-01 6.224970016160e-01 8*0.0 -5.430641748220e-01 -7.061472926100e-01
|
||||
8*0.0 5.893011041840e-01 6.226318125790e-01 8*0.0 -5.497021053140e-01 -7.023109357610e-01
|
||||
8*0.0 5.898185445960e-01 6.223680248490e-01 8*0.0 -5.559565735560e-01 -6.983392483880e-01
|
||||
8*0.0 5.899476531130e-01 6.217220612040e-01 8*0.0 -5.618298685980e-01 -6.942338965940e-01
|
||||
8*0.0 5.897065382060e-01 6.207098811150e-01 8*0.0 -5.673246578120e-01 -6.899967420040e-01
|
||||
8*0.0 5.891135253740e-01 6.193475682910e-01 8*0.0 -5.724439704890e-01 -6.856298363570e-01
|
||||
8*0.0 5.881860407710e-01 6.176508695020e-01 8*0.0 -5.771911811760e-01 -6.811354087230e-01
|
||||
8*0.0 5.869410205920e-01 6.156352451710e-01 8*0.0 -5.815699930200e-01 -6.765158562120e-01
|
||||
8*0.0 5.853947605680e-01 6.133158908270e-01 8*0.0 -5.855844213840e-01 -6.717737343680e-01
|
||||
8*0.0 5.835633305590e-01 6.107076621880e-01 8*0.0 -5.892387775350e-01 -6.669117473160e-01
|
||||
8*0.0 5.814619397830e-01 6.078250685860e-01 8*0.0 -5.925376528580e-01 -6.619327381240e-01
|
||||
8*0.0 5.791054495660e-01 6.046822462560e-01 8*0.0 -5.954859028360e-01 -6.568396793120e-01
|
||||
8*0.0 5.765080831870e-01 6.012929883600e-01 8*0.0 -5.980886314460e-01 -6.516356635040e-01
|
||||
8*0.0 5.736837185220e-01 5.976706722620e-01 8*0.0 -6.003511758840e-01 -6.463238941850e-01
|
||||
8*0.0 5.706454960510e-01 5.938283064360e-01 8*0.0 -6.022790914970e-01 -6.409076766320e-01
|
||||
8*0.0 5.674063241280e-01 5.897785059340e-01 8*0.0 -6.038781368020e-01 -6.353904091230e-01
|
||||
8*0.0 5.639784006170e-01 5.855334921530e-01 8*0.0 -6.051542590980e-01 -6.297755741560e-01
|
||||
8*0.0 5.603736409100e-01 5.811050754370e-01 8*0.0 -6.061135804610e-01 -6.240667299780e-01
|
||||
8*0.0 5.566033577270e-01 5.765047074470e-01 8*0.0 -6.067623833250e-01 -6.182675024020e-01
|
||||
8*0.0 5.526784650300e-01 5.717434184690e-01 8*0.0 -6.071070973980e-01 -6.123815766050e-01
|
||||
8*0.0 5.486093828490e-01 5.668318719510e-01 8*0.0 -6.071542861400e-01 -6.064126893880e-01
|
||||
8*0.0 5.444062047790e-01 5.617803577930e-01 8*0.0 -6.069106339040e-01 -6.003646215240e-01
|
||||
8*0.0 5.400784596500e-01 5.565987668410e-01 8*0.0 -6.063829335120e-01 -5.942411903280e-01
|
||||
8*0.0 5.356354113020e-01 5.512966532780e-01 8*0.0 -6.055780737780e-01 -5.880462425980e-01
|
||||
8*0.0 5.310858532640e-01 5.458832024080e-01 8*0.0 -6.045030278620e-01 -5.817836476120e-01
|
||||
8*0.0 5.264382079380e-01 5.403672436780e-01 8*0.0 -6.031648417030e-01 -5.754572904690e-01
|
||||
8*0.0 5.217004859510e-01 5.347572625770e-01 8*0.0 -6.015706228580e-01 -5.690710656570e-01
|
||||
8*0.0 5.168803967340e-01 5.290614162880e-01 8*0.0 -5.997275296310e-01 -5.626288708640e-01
|
||||
8*0.0 5.119853330580e-01 5.232875430750e-01 8*0.0 -5.976427609500e-01 -5.561346009980e-01
|
||||
8*0.0 5.070221658190e-01 5.174431341600e-01 8*0.0 -5.953235455790e-01 -5.495921425430e-01
|
||||
8*0.0 5.019975724650e-01 5.115353988020e-01 8*0.0 -5.927771333780e-01 -5.430053679300e-01
|
||||
8*0.0 4.969180644390e-01 5.055712435350e-01 8*0.0 -5.900107854110e-01 -5.363781304440e-01
|
||||
8*0.0 4.917894890200e-01 4.995572709590e-01 8*0.0 -5.870317646260e-01 -5.297142592070e-01
|
||||
8*0.0 4.866177632150e-01 4.934998123090e-01 8*0.0 -5.838473280970e-01 -5.230175543070e-01
|
||||
8*0.0 4.814082719690e-01 4.874049257210e-01 8*0.0 -5.804647178790e-01 -5.162917824300e-01
|
||||
8*0.0 4.761661851060e-01 4.812783788300e-01 8*0.0 -5.768911534070e-01 -5.095406724730e-01
|
||||
8*0.0 4.708965107320e-01 4.751257096720e-01 8*0.0 -5.731338241390e-01 -5.027679114570e-01
|
||||
8*0.0 4.656038563880e-01 4.689521936650e-01 8*0.0 -5.691998818210e-01 -4.959771407460e-01
|
||||
8*0.0 4.602927331710e-01 4.627628690220e-01 8*0.0 -5.650964339520e-01 -4.891719523890e-01
|
||||
8*0.0 4.549672190640e-01 4.565625315920e-01 8*0.0 -5.608305368080e-01 -4.823558857610e-01
|
||||
8*0.0 4.496313911440e-01 4.503557673240e-01 8*0.0 -5.564091897370e-01 -4.755324242800e-01
|
||||
8*0.0 4.442889643730e-01 4.441469294560e-01 8*0.0 -5.518393285830e-01 -4.687049925650e-01
|
||||
8*0.0 4.389435533920e-01 4.379401685150e-01 8*0.0 -5.471278205320e-01 -4.618769535470e-01
|
||||
8*0.0 4.335984277860e-01 4.317394265350e-01 8*0.0 -5.422814584380e-01 -4.550516059860e-01
|
||||
8*0.0 4.282567527030e-01 4.255484516240e-01 8*0.0 -5.373069559930e-01 -4.482321820630e-01
|
||||
8*0.0 4.229215906270e-01 4.193708036840e-01 8*0.0 -5.322109431660e-01 -4.414218451600e-01
|
||||
8*0.0 4.175957027390e-01 4.132098588370e-01 8*0.0 -5.269999613190e-01 -4.346236879650e-01
|
||||
8*0.0 4.122817220390e-01 4.070688186170e-01 8*0.0 -5.216804594660e-01 -4.278407305790e-01
|
||||
8*0.0 4.069821896880e-01 4.009507126910e-01 8*0.0 -5.162587902380e-01 -4.210759189160e-01
|
||||
8*0.0 4.016993841670e-01 3.948584086230e-01 8*0.0 -5.107412061980e-01 -4.143321232690e-01
|
||||
8*0.0 3.964355114710e-01 3.887946154190e-01 8*0.0 -5.051338567150e-01 -4.076121369710e-01
|
||||
8*0.0 3.911925913370e-01 3.827618964500e-01 8*0.0 -4.994427847590e-01 -4.009186753290e-01
|
||||
8*0.0 3.859726096650e-01 3.767626588430e-01 8*0.0 -4.936739239670e-01 -3.942543745340e-01
|
||||
8*0.0 3.807773196310e-01 3.707991810670e-01 8*0.0 -4.878330963290e-01 -3.876217909890e-01
|
||||
8*0.0 3.756084113130e-01 3.648735998920e-01 8*0.0 -4.819260096130e-01 -3.810234005600e-01
|
||||
8*0.0 3.704674313970e-01 3.589879265560e-01 8*0.0 -4.759582553260e-01 -3.744615980520e-01
|
||||
8*0.0 3.653558397620e-01 3.531440467840e-01 8*0.0 -4.699353068440e-01 -3.679386968040e-01
|
||||
8*0.0 3.602750114710e-01 3.473437238040e-01 8*0.0 -4.638625177300e-01 -3.614569284350e-01
|
||||
8*0.0 3.552262231700e-01 3.415886152530e-01 8*0.0 -4.577451200680e-01 -3.550184427250e-01
|
||||
8*0.0 3.502105369520e-01 3.358802632220e-01 8*0.0 -4.515882237290e-01 -3.486253075560e-01
|
||||
8*0.0 3.452291425880e-01 3.302201045750e-01 8*0.0 -4.453968145210e-01 -3.422795090350e-01
|
||||
8*0.0 3.402829681310e-01 3.246094722640e-01 8*0.0 -4.391757540220e-01 -3.359829516940e-01
|
||||
8*0.0 3.353729907690e-01 3.190496128840e-01 8*0.0 -4.329297784840e-01 -3.297374588000e-01
|
||||
8*0.0 3.305000051000e-01 3.135416670250e-01 8*0.0 -4.266634983550e-01 -3.235447727780e-01
|
||||
8*0.0 3.256648047060e-01 3.080867019590e-01 8*0.0 -4.203813980520e-01 -3.174065557000e-01
|
||||
8*0.0 3.208680869830e-01 3.026856834610e-01 8*0.0 -4.140878356940e-01 -3.113243898910e-01
|
||||
8*0.0 3.161105176560e-01 2.973395065580e-01 8*0.0 -4.077870428760e-01 -3.052997786260e-01
|
||||
8*0.0 3.113926380200e-01 2.920489892010e-01 8*0.0 -4.014831252250e-01 -2.993341468610e-01
|
||||
8*0.0 3.067150594040e-01 2.868148726440e-01 8*0.0 -3.951800620860e-01 -2.934288421060e-01
|
||||
8*0.0 3.020782052670e-01 2.816378257770e-01 8*0.0 -3.888817074170e-01 -2.875851353230e-01
|
||||
8*0.0 2.974825493300e-01 2.765184516960e-01 8*0.0 -3.825917899720e-01 -2.818042218950e-01
|
||||
8*0.0 2.929284189740e-01 2.714572871390e-01 8*0.0 -3.763139141570e-01 -2.760872226940e-01
|
||||
8*0.0 2.884161892190e-01 2.664548055580e-01 8*0.0 -3.700515605770e-01 -2.704351851520e-01
|
||||
8*0.0 2.839461678420e-01 2.615114296760e-01 8*0.0 -3.638080870880e-01 -2.648490844440e-01
|
||||
8*0.0 2.795186186570e-01 2.566275157960e-01 8*0.0 -3.575867296500e-01 -2.593298246760e-01
|
||||
8*0.0 2.751337520820e-01 2.518033726440e-01 8*0.0 -3.513906035730e-01 -2.538782401410e-01
|
||||
8*0.0 2.707917777150e-01 2.470392554990e-01 8*0.0 -3.452227044200e-01 -2.484950966220e-01
|
||||
8*0.0 2.664928674560e-01 2.423353742950e-01 8*0.0 -3.390859095750e-01 -2.431810927240e-01
|
||||
8*0.0 2.622371411340e-01 2.376918861920e-01 8*0.0 -3.329829793760e-01 -2.379368612320e-01
|
||||
8*0.0 2.580247011020e-01 2.331089110450e-01 8*0.0 -3.269165586470e-01 -2.327629705380e-01
|
||||
8*0.0 2.538556445440e-01 2.285865234830e-01 8*0.0 -3.208891781210e-01 -2.276599260500e-01
|
||||
8*0.0 2.497300146830e-01 2.241247560340e-01 8*0.0 -3.149032561380e-01 -2.226281716540e-01
|
||||
8*0.0 2.456478559270e-01 2.197236084520e-01 8*0.0 -3.089611001390e-01 -2.176680912040e-01
|
||||
8*0.0 2.416091872020e-01 2.153830404090e-01 8*0.0 -3.030649084320e-01 -2.127800100100e-01
|
||||
8*0.0 2.376140012380e-01 2.111029799400e-01 8*0.0 -2.972167719870e-01 -2.079641963460e-01
|
||||
8*0.0 2.336622750630e-01 2.068833197780e-01 8*0.0 -2.914186761850e-01 -2.032208629930e-01
|
||||
8*0.0 2.297539582650e-01 2.027239230130e-01 8*0.0 -2.856725026960e-01 -1.985501687630e-01
|
||||
8*0.0 2.258890154740e-01 1.986246249660e-01 8*0.0 -2.799800312830e-01 -1.939522200630e-01
|
||||
8*0.0 2.220673571280e-01 1.945852316500e-01 8*0.0 -2.743429419130e-01 -1.894270724260e-01
|
||||
8*0.0 2.182889177060e-01 1.906055223640e-01 8*0.0 -2.687628165420e-01 -1.849747320800e-01
|
||||
8*0.0 2.145535956960e-01 1.866852527000e-01 8*0.0 -2.632411412320e-01 -1.805951575020e-01
|
||||
8*0.0 2.108612864650e-01 1.828241537150e-01 8*0.0 -2.577793081540e-01 -1.762882609700e-01
|
||||
8*0.0 2.072118719740e-01 1.790219370420e-01 8*0.0 -2.523786175530e-01 -1.720539101190e-01
|
||||
8*0.0 2.036052243740e-01 1.752782899000e-01 8*0.0 -2.470402799880e-01 -1.678919294770e-01
|
||||
8*0.0 2.000412147730e-01 1.715928792160e-01 8*0.0 -2.417654181980e-01 -1.638021020240e-01
|
||||
8*0.0 1.965196904280e-01 1.679653568780e-01 8*0.0 -2.365550694210e-01 -1.597841706940e-01
|
||||
8*0.0 1.930404946960e-01 1.643953526500e-01 8*0.0 -2.314101874320e-01 -1.558378399190e-01
|
||||
8*0.0 1.896034797760e-01 1.608824850160e-01 8*0.0 -2.263316444790e-01 -1.519627771260e-01
|
||||
8*0.0 1.862084638080e-01 1.574263517620e-01 8*0.0 -2.213202337090e-01 -1.481586142300e-01
|
||||
8*0.0 1.828552959890e-01 1.540265391580e-01 8*0.0 -2.163766711380e-01 -1.444249491090e-01
|
||||
8*0.0 1.795437747530e-01 1.506826184630e-01 8*0.0 -2.115015977360e-01 -1.407613470720e-01
|
||||
8*0.0 1.762737139960e-01 1.473941473150e-01 8*0.0 -2.066955815880e-01 -1.371673423010e-01
|
||||
8*0.0 1.730449297510e-01 1.441606733260e-01 8*0.0 -2.019591201450e-01 -1.336424392680e-01
|
||||
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8*0.0 -6.237867127640e-06 -5.965859629670e-06 8*0.0 2.170082167410e-04 6.380562372690e-05
|
||||
8*0.0 -7.479986180540e-06 -5.907253805640e-06 8*0.0 2.167492950090e-04 6.129947727260e-05
|
||||
8*0.0 -8.683437544340e-06 -5.828947474300e-06 8*0.0 2.163671837590e-04 5.877471685170e-05
|
||||
8*0.0 -9.848853669920e-06 -5.731609019170e-06 8*0.0 2.158645902350e-04 5.623314945360e-05
|
||||
8*0.0 -1.097683068450e-05 -5.615896341320e-06 8*0.0 2.152442275740e-04 5.367655697760e-05
|
||||
8*0.0 -1.206794662650e-05 -5.482440632910e-06 8*0.0 2.145088134740e-04 5.110669584780e-05
|
||||
8*0.0 -1.312273099800e-05 -5.331858606550e-06 8*0.0 2.136610688960e-04 4.852529674980e-05
|
||||
8*0.0 -1.414169563630e-05 -5.164752175010e-06 8*0.0 2.127037166650e-04 4.593406409820e-05
|
||||
8*0.0 -1.512533395220e-05 -4.981705110540e-06 8*0.0 2.116394802920e-04 4.333467595350e-05
|
||||
8*0.0 -1.607410250790e-05 -4.783293319020e-06 8*0.0 2.104710824920e-04 4.072878351870e-05
|
||||
8*0.0 -1.698845438290e-05 -4.570070780450e-06 8*0.0 2.092012439870e-04 3.811801085650e-05
|
||||
8*0.0 -1.786882422120e-05 -4.342587637610e-06 8*0.0 2.078326821650e-04 3.550395470370e-05
|
||||
8*0.0 -1.871560651710e-05 -4.101376081030e-06 8*0.0 2.063681098340e-04 3.288818410540e-05
|
||||
8*0.0 -1.952921095310e-05 -3.846956700870e-06 8*0.0 2.048102338650e-04 3.027224015110e-05
|
||||
8*0.0 -2.031001878740e-05 -3.579840311500e-06 8*0.0 2.031617540120e-04 2.765763572340e-05
|
||||
8*0.0 -2.105840328040e-05 -3.300533064240e-06 8*0.0 2.014253616380e-04 2.504585527820e-05
|
||||
8*0.0 -2.177472657530e-05 -3.009523530720e-06 8*0.0 1.996037384810e-04 2.243835467240e-05
|
||||
8*0.0 -2.245934612480e-05 -2.707292305770e-06 8*0.0 1.976995554820e-04 1.983656086510e-05
|
||||
8*0.0 -2.311260680190e-05 -2.394314627130e-06 8*0.0 1.957154715740e-04 1.724187180030e-05
|
||||
8*0.0 -2.373485809900e-05 -2.071056282600e-06 8*0.0 1.936541325120e-04 1.465565618070e-05
|
||||
8*0.0 -2.432642446830e-05 -1.737972742700e-06 8*0.0 1.915181697840e-04 1.207925338030e-05
|
||||
8*0.0 -2.488764869550e-05 -1.395519765310e-06 8*0.0 1.893101994510e-04 9.513973228380e-06
|
||||
8*0.0 -2.541885764640e-05 -1.044136186070e-06 8*0.0 1.870328211010e-04 6.961095960050e-06
|
||||
8*0.0 -2.592037893000e-05 -6.842582911360e-07 8*0.0 1.846886167440e-04 4.421872019520e-06
|
||||
8*0.0 -2.639254291330e-05 -3.163149743500e-07 8*0.0 1.822801498230e-04 1.897522057840e-06
|
||||
8*0.0 -2.683566622750e-05 5.927041583830e-08 8*0.0 1.798099641730e-04 -6.107631689480e-07
|
||||
8*0.0 -2.725008695130e-05 4.420796979690e-07 8*0.0 1.772805831020e-04 -3.101822883070e-06
|
||||
8*0.0 -2.763612451600e-05 8.317018765680e-07 8*0.0 1.746945083550e-04 -5.574526323480e-06
|
||||
8*0.0 -2.799410832500e-05 1.227732152530e-06 8*0.0 1.720542192990e-04 -8.027772691430e-06
|
||||
8*0.0 -2.832437385810e-05 1.629770152230e-06 8*0.0 1.693621719600e-04 -1.046049129350e-05
|
||||
8*0.0 -2.862724278120e-05 2.037424701000e-06 8*0.0 1.666207981950e-04 -1.287164143590e-05
|
||||
8*0.0 -2.890306063840e-05 2.450302933940e-06 8*0.0 1.638325048830e-04 -1.526021241900e-05
|
||||
8*0.0 -2.915215924310e-05 2.868023835670e-06 8*0.0 1.609996731090e-04 -1.762522349300e-05
|
||||
8*0.0 -2.937488544970e-05 3.290205826860e-06 8*0.0 1.581246574030e-04 -1.996572385970e-05
|
||||
8*0.0 -2.957157792980e-05 3.716475080650e-06 8*0.0 1.552097850120e-04 -2.228079250250e-05
|
||||
8*0.0 -2.974258783020e-05 4.146466827740e-06 8*0.0 1.522573551980e-04 -2.456953823670e-05
|
||||
8*0.0 -2.988827201360e-05 4.579812650520e-06 8*0.0 1.492696385930e-04 -2.683109945420e-05
|
||||
8*0.0 -3.000898286120e-05 5.016154806970e-06 8*0.0 1.462488765150e-04 -2.906464411320e-05
|
||||
8*0.0 -3.010508581850e-05 5.455140056570e-06 8*0.0 1.431972803950e-04 -3.126936959790e-05
|
||||
8*0.0 -3.017694139160e-05 5.896415816660e-06 8*0.0 1.401170311980e-04 -3.344450257390e-05
|
||||
8*0.0 -3.022492420990e-05 6.339640190590e-06 8*0.0 1.370102788660e-04 -3.558929876270e-05
|
||||
8*0.0 -3.024940690370e-05 6.784473503220e-06 8*0.0 1.338791418160e-04 -3.770304291030e-05
|
||||
8*0.0 -3.025077276240e-05 7.230577888800e-06 8*0.0 1.307257064630e-04 -3.978504844440e-05
|
||||
8*0.0 -3.022940147860e-05 7.677621940580e-06 8*0.0 1.275520267400e-04 -4.183465743660e-05
|
||||
8*0.0 -3.018568185870e-05 8.125281799330e-06 8*0.0 1.243601237070e-04 -4.385124027160e-05
|
||||
8*0.0 -3.012001480630e-05 8.573235084730e-06 8*0.0 1.211519851300e-04 -4.583419551100e-05
|
||||
8*0.0 -3.003278715470e-05 9.021164378130e-06 8*0.0 1.179295651540e-04 -4.778294959210e-05
|
||||
8*0.0 -2.992440086750e-05 9.468760598010e-06 8*0.0 1.146947839280e-04 -4.969695667030e-05
|
||||
8*0.0 -2.979526909960e-05 9.915713865850e-06 8*0.0 1.114495273080e-04 -5.157569830350e-05
|
||||
8*0.0 -2.964579414130e-05 1.036172422530e-05 8*0.0 1.081956466060e-04 -5.341868321710e-05
|
||||
8*0.0 -2.947639479810e-05 1.080649374690e-05 8*0.0 1.049349583160e-04 -5.522544699990e-05
|
||||
8*0.0 -2.928748682910e-05 1.124973059250e-05 8*0.0 1.016692438840e-04 -5.699555189860e-05
|
||||
8*0.0 -2.907948808530e-05 1.169114591180e-05 8*0.0 9.840024953750e-05 -5.872858642280e-05
|
||||
8*0.0 -2.885282355300e-05 1.213045887450e-05 8*0.0 9.512968607600e-05 -6.042416514540e-05
|
||||
8*0.0 -2.860792314680e-05 1.256739218010e-05 8*0.0 9.185922879060e-05 -6.208192827720e-05
|
||||
8*0.0 -2.834521272170e-05 1.300167274270e-05 8*0.0 8.859051725220e-05 -6.370154153510e-05
|
||||
8*0.0 -2.806512780450e-05 1.343303277810e-05 8*0.0 8.532515532090e-05 -6.528269559840e-05
|
||||
8*0.0 -2.776810449550e-05 1.386121236770e-05 8*0.0 8.206471098600e-05 -6.682510592530e-05
|
||||
8*0.0 -2.745457790390e-05 1.428595291350e-05 8*0.0 7.881071638260e-05 -6.832851237250e-05
|
||||
8*0.0 -2.712498932800e-05 1.470700533830e-05 8*0.0 7.556466773210e-05 -6.979267883500e-05
|
||||
8*0.0 -2.677977718110e-05 1.512412106440e-05 8*0.0 7.232802534570e-05 -7.121739293460e-05
|
||||
8*0.0 -2.641938696050e-05 1.553705925860e-05 8*0.0 6.910221367230e-05 -7.260246560310e-05
|
||||
8*0.0 -2.604426203940e-05 1.594558515090e-05 8*0.0 6.588862129870e-05 -7.394773078750e-05
|
||||
8*0.0 -2.565484776730e-05 1.634947028780e-05 8*0.0 6.268860104530e-05 -7.525304500120e-05
|
||||
8*0.0 -2.525159092250e-05 1.674848737890e-05 8*0.0 5.950347003060e-05 -7.651828705380e-05
|
||||
8*0.0 -2.483493732830e-05 1.714241715430e-05 8*0.0 5.633450978680e-05 -7.774335757730e-05
|
||||
8*0.0 -2.440533295470e-05 1.753104895300e-05 8*0.0 5.318296638480e-05 -7.892817868330e-05
|
||||
8*0.0 -2.396322699150e-05 1.791417125630e-05 8*0.0 5.005005054410e-05 -8.007269361090e-05
|
||||
8*0.0 -2.350906625200e-05 1.829158472490e-05 8*0.0 4.693693784380e-05 -8.117686625550e-05
|
||||
8*0.0 -2.304329525000e-05 1.866308965750e-05 8*0.0 4.384476884490e-05 -8.224068086010e-05
|
||||
8*0.0 -2.256636063590e-05 1.902849553410e-05 8*0.0 4.077464931530e-05 -8.326414159110e-05
|
||||
8*0.0 -2.207870646380e-05 1.938761658300e-05 8*0.0 3.772765043290e-05 -8.424727209780e-05
|
||||
8*0.0 -2.158077895930e-05 1.974027298480e-05 8*0.0 3.470480899640e-05 -8.519011519040e-05
|
||||
8*0.0 -2.107301905020e-05 2.008629125740e-05 8*0.0 3.170712768270e-05 -8.609273237770e-05
|
||||
8*0.0 -2.055586712380e-05 2.042550021390e-05 8*0.0 2.873557529570e-05 -8.695520348820e-05
|
||||
8*0.0 -2.002976047070e-05 2.075774067350e-05 8*0.0 2.579108702370e-05 -8.777762626500e-05
|
||||
8*0.0 -1.949513908470e-05 2.108285070700e-05 8*0.0 2.287456473520e-05 -8.856011593620e-05
|
||||
8*0.0 -1.895243645390e-05 2.140068212490e-05 8*0.0 1.998687725440e-05 -8.930280486970e-05
|
||||
8*0.0 -1.840208220900e-05 2.171108770630e-05 8*0.0 1.712886068990e-05 -9.000584208400e-05
|
||||
8*0.0 -1.784450846030e-05 2.201392734040e-05 8*0.0 1.430131873620e-05 -9.066939289850e-05
|
||||
8*0.0 -1.728013846690e-05 2.230906791050e-05 8*0.0 1.150502300210e-05 -9.129363851080e-05
|
||||
8*0.0 -1.670939681070e-05 2.259637692180e-05 8*0.0 8.740713373410e-06 -9.187877559420e-05
|
||||
8*0.0 -1.613270494130e-05 2.287573503490e-05 8*0.0 6.009098319920e-06 -9.242501587780e-05
|
||||
8*0.0 -1.555047469620e-05 2.314702469440e-05 8*0.0 3.310855300220e-06 -9.293258575040e-05
|
||||
8*0.0 -1.496312016800e-05 2.341013243790e-05 8*0.0 6.466310941700e-07 -9.340172585490e-05
|
||||
8*0.0 -1.437104852130e-05 2.366495328650e-05 8*0.0 -1.982957790990e-06 -9.383269069550e-05
|
||||
8*0.0 -1.377466752860e-05 2.391138476070e-05 8*0.0 -4.577324765950e-06 -9.422574821600e-05
|
||||
8*0.0 -1.317437326920e-05 2.414933430450e-05 8*0.0 -7.135912737030e-06 -9.458117940560e-05
|
||||
8*0.0 -1.257056243200e-05 2.437871403120e-05 8*0.0 -9.658193715960e-06 -9.489927789730e-05
|
||||
8*0.0 -1.196362576810e-05 2.459943496410e-05 8*0.0 -1.214366842990e-05 -9.518034962000e-05
|
||||
8*0.0 -1.135394861680e-05 2.481142477220e-05 8*0.0 -1.459186588830e-05 -9.542471230010e-05
|
||||
202
tests/DFTB/nonscc/clcl_exp
Normal file
202
tests/DFTB/nonscc/clcl_exp
Normal file
|
|
@ -0,0 +1,202 @@
|
|||
0.1 200
|
||||
0.0000 -0.317318 -0.754438 0.0 3*0.0 0.0 5.0 2.0 T F
|
||||
35.453 -0.000013 0.093728 -0.057254 0.022065 0.0 0.0 0.0 0.0 4.858700 5.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -0.29202099 -1.66844898 0.0 0.69313075 -2.08960353 5*0.0 0.82042747 0.92867554 0.0 -0.17944706 0.90946168
|
||||
5*0.0 -0.22727561 -1.38299894 0.0 0.71320219 -1.87977977 5*0.0 0.76238086 0.90118992 0.0 -0.21311979 0.87424661
|
||||
5*0.0 -0.30779268 -1.19601863 0.0 0.61143057 -1.63512570 5*0.0 0.70556547 0.87331522 0.0 -0.24036193 0.83649457
|
||||
5*0.0 -0.41917376 -1.07717791 0.0 0.48259859 -1.40207927 5*0.0 0.64803434 0.84526304 0.0 -0.26359447 0.79840414
|
||||
5*0.0 -0.50134870 -1.00053824 0.0 0.37939654 -1.21152174 5*0.0 0.58779987 0.81688125 0.0 -0.28511476 0.76190028
|
||||
5*0.0 -0.53212265 -0.94728626 0.0 0.32126700 -1.07318561 5*0.0 0.52360898 0.78790126 0.0 -0.30649438 0.72820468
|
||||
5*0.0 -0.51090963 -0.90511146 0.0 0.30800224 -0.98276243 5*0.0 0.45514762 0.75808351 0.0 -0.32845752 0.69778669
|
||||
5*0.0 -0.44736156 -0.86665909 0.0 0.33021148 -0.92949240 5*0.0 0.38293295 0.72728626 0.0 -0.35101079 0.67051279
|
||||
5*0.0 -0.35454658 -0.82800729 0.0 0.37576203 -0.90123983 5*0.0 0.30807796 0.69548476 0.0 -0.37366566 0.64585934
|
||||
5*0.0 -0.24527852 -0.78745248 0.0 0.43319339 -0.88718378 5*0.0 0.23203769 0.66276219 0.0 -0.39566340 0.62311336
|
||||
5*0.0 -0.13039318 -0.74462867 0.0 0.49321888 -0.87890232 5*0.0 0.15639053 0.62928743 0.0 -0.41616044 0.60152943
|
||||
5*0.0 -0.01815559 -0.69990532 0.0 0.54913102 -0.87053344 5*0.0 0.08267325 0.59528897 0.0 -0.43436149 0.58043540
|
||||
5*0.0 0.08571300 -0.65399543 0.0 0.59663557 -0.85847575 5*0.0 0.01226946 0.56102985 0.0 -0.44960269 0.55929192
|
||||
5*0.0 0.17770184 -0.60771372 0.0 0.63343261 -0.84091112 5*0.0 -0.05365613 0.52678641 0.0 -0.46139385 0.53771614
|
||||
5*0.0 0.25606037 -0.56183784 0.0 0.65872869 -0.81730714 5*0.0 -0.11418840 0.49283144 0.0 -0.46943043 0.51548014
|
||||
5*0.0 0.32034037 -0.51703764 0.0 0.67277808 -0.78797831 5*0.0 -0.16866700 0.45942173 0.0 -0.47358506 0.49249395
|
||||
5*0.0 0.37098860 -0.47384752 0.0 0.67649838 -0.75373621 5*0.0 -0.21667432 0.42678957 0.0 -0.47388680 0.46878049
|
||||
5*0.0 0.40901438 -0.43266423 0.0 0.67117334 -0.71563176 5*0.0 -0.25801274 0.39513758 0.0 -0.47049411 0.44444802
|
||||
5*0.0 0.43573603 -0.39375868 0.0 0.65823833 -0.67477867 5*0.0 -0.29267573 0.36463604 0.0 -0.46366583 0.41966344
|
||||
5*0.0 0.45259897 -0.35729405 0.0 0.63913585 -0.63224190 5*0.0 -0.32081663 0.33542231 0.0 -0.45373313 0.39462871
|
||||
5*0.0 0.46105313 -0.32334563 0.0 0.61522561 -0.58897451 5*0.0 -0.34271710 0.30760170 0.0 -0.44107396 0.36956119
|
||||
5*0.0 0.46247625 -0.29191997 0.0 0.58773486 -0.54578837 5*0.0 -0.35875725 0.28124933 0.0 -0.42609109 0.34467826
|
||||
5*0.0 0.45813076 -0.26297169 0.0 0.55773632 -0.50334702 5*0.0 -0.36938824 0.25641269 0.0 -0.40919380 0.32018596
|
||||
5*0.0 0.44914381 -0.23641790 0.0 0.52614433 -0.46217193 5*0.0 -0.37510794 0.23311460 0.0 -0.39078350 0.29627115
|
||||
5*0.0 0.43650253 -0.21214975 0.0 0.49372184 -0.42265609 5*0.0 -0.37644004 0.21135631 0.0 -0.37124273 0.27309664
|
||||
5*0.0 0.42105861 -0.19004176 0.0 0.46109332 -0.38508080 5*0.0 -0.37391650 0.19112066 0.0 -0.35092728 0.25079881
|
||||
5*0.0 0.40353809 -0.16995889 0.0 0.42876037 -0.34963309 5*0.0 -0.36806325 0.17237511 0.0 -0.33016097 0.22948687
|
||||
5*0.0 0.38455353 -0.15176199 0.0 0.39711779 -0.31642241 5*0.0 -0.35938893 0.15507461 0.0 -0.30923265 0.20924365
|
||||
5*0.0 0.36461696 -0.13531175 0.0 0.36646907 -0.28549565 5*0.0 -0.34837631 0.13916421 0.0 -0.28839495 0.19012718
|
||||
5*0.0 0.34415247 -0.12047160 0.0 0.33704055 -0.25685031 5*0.0 -0.33547615 0.12458148 0.0 -0.26786440 0.17217291
|
||||
5*0.0 0.32350797 -0.10710972 0.0 0.30899412 -0.23044577 5*0.0 -0.32110302 0.11125861 0.0 -0.24782260 0.15539629
|
||||
5*0.0 0.30296582 -0.09510035 0.0 0.28243828 -0.20621268 5*0.0 -0.30563298 0.09912423 0.0 -0.22841818 0.13979544
|
||||
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5*0.0 -0.00000072 0.00000003 0.0 -0.00000032 0.00000011 5*0.0 0.00000028 2*0.0 0.00000007 0.0
|
||||
5*0.0 -0.00000063 0.00000003 0.0 -0.00000028 0.00000010 5*0.0 0.00000022 2*0.0 0.00000005 0.00000001
|
||||
5*0.0 -0.00000055 0.00000002 0.0 -0.00000024 0.00000008 5*0.0 0.00000017 2*0.0 0.00000003 0.00000001
|
||||
5*0.0 -0.00000048 0.00000002 0.0 -0.00000021 0.00000007 5*0.0 0.00000013 2*0.0 0.00000002 0.00000001
|
||||
5*0.0 -0.00000042 0.00000002 0.0 -0.00000018 0.00000006 5*0.0 0.00000010 2*0.0 0.00000001 0.00000001
|
||||
5*0.0 -0.00000036 0.00000001 0.0 -0.00000016 0.00000005 5*0.0 0.00000007 0.00000001 2*0.0 0.00000002
|
||||
5*0.0 -0.00000032 0.00000001 0.0 -0.00000013 0.00000004 5*0.0 0.00000004 0.00000001 0.0 -0.00000001 0.00000002
|
||||
5*0.0 -0.00000027 0.00000001 0.0 -0.00000012 0.00000004 5*0.0 0.00000002 0.00000001 0.0 -0.00000001 0.00000002
|
||||
5*0.0 -0.00000024 0.00000001 0.0 -0.00000010 0.00000003 5*0.0 0.00000001 0.00000001 0.0 -0.00000002 0.00000002
|
||||
5*0.0 -0.00000021 0.00000001 0.0 -0.00000008 0.00000003 6*0.0 0.00000001 0.0 -0.00000002 0.00000002
|
||||
5*0.0 -0.00000018 0.00000001 0.0 -0.00000007 0.00000002 5*0.0 -0.00000001 0.00000001 0.0 -0.00000002 0.00000002
|
||||
5*0.0 -0.00000015 0.00000001 0.0 -0.00000006 0.00000002 5*0.0 -0.00000002 0.00000001 0.0 -0.00000002 0.00000002
|
||||
5*0.0 -0.00000013 2*0.0 -0.00000005 0.00000002 5*0.0 -0.00000003 0.00000001 0.0 -0.00000002 0.00000002
|
||||
5*0.0 -0.00000011 2*0.0 -0.00000004 0.00000001 5*0.0 -0.00000003 0.00000001 0.0 -0.00000002 0.00000002
|
||||
5*0.0 -0.00000010 2*0.0 -0.00000004 0.00000001 5*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000008 2*0.0 -0.00000003 0.00000001 5*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000007 2*0.0 -0.00000003 0.00000001 5*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000006 2*0.0 -0.00000002 0.00000001 5*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000005 2*0.0 -0.00000002 6*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000004 2*0.0 -0.00000002 6*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000003 2*0.0 -0.00000001 6*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000003 2*0.0 -0.00000001 6*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000001 6*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000001 6*0.0 -0.00000004 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000001 6*0.0 -0.00000003 2*0.0 -0.00000002 0.00000001
|
||||
5*0.0 -0.00000001 9*0.0 -0.00000003 2*0.0 -0.00000001 0.00000001
|
||||
5*0.0 -0.00000001 9*0.0 -0.00000003 2*0.0 -0.00000001 0.00000001
|
||||
5*0.0 -0.00000001 9*0.0 -0.00000003 2*0.0 -0.00000001 0.00000001
|
||||
5*0.0 -0.00000001 9*0.0 -0.00000003 2*0.0 -0.00000001 0.00000001
|
||||
15*0.0 -0.00000003 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000002 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000002 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000002 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000002 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000002 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000002 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000002 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000001 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000001 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
201
tests/DFTB/nonscc/clk_exp
Normal file
201
tests/DFTB/nonscc/clk_exp
Normal file
|
|
@ -0,0 +1,201 @@
|
|||
0.1 200
|
||||
0.000 0.01 0.003 0.00025 0.0001 0.0004 3*0.0 6.3 11.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -0.45906598 0.43027735 0.0 0.02404134 -0.25410602 5*0.0 0.28246488 0.23139646 0.0 -0.14341824 -0.14393066
|
||||
5*0.0 -0.41352386 0.25465635 0.0 0.08257735 -0.15464427 5*0.0 0.30244300 0.24368855 0.0 -0.17746544 -0.15899750
|
||||
5*0.0 -0.29102183 0.15316691 0.0 0.20218330 -0.04563623 5*0.0 0.31845391 0.25485719 0.0 -0.21100397 -0.17475847
|
||||
5*0.0 -0.17562895 0.09833039 0.0 0.31328416 0.04839131 5*0.0 0.33236383 0.26495084 0.0 -0.24211386 -0.19012136
|
||||
5*0.0 -0.10218540 0.06918086 0.0 0.38538155 0.11560212 5*0.0 0.34562080 0.27420780 0.0 -0.26938473 -0.20426864
|
||||
5*0.0 -0.07646860 0.05198752 0.0 0.41430600 0.15567370 5*0.0 0.35888557 0.28287877 0.0 -0.29220922 -0.21680329
|
||||
5*0.0 -0.09037531 0.03872507 0.0 0.40844036 0.17423180 5*0.0 0.37204307 0.29114045 0.0 -0.31069473 -0.22770420
|
||||
5*0.0 -0.13074547 0.02530145 0.0 0.38002192 0.17858418 5*0.0 0.38438133 0.29906599 0.0 -0.32544472 -0.23720332
|
||||
5*0.0 -0.18416439 0.01011975 0.0 0.34075900 0.17543319 5*0.0 0.39483360 0.30662831 0.0 -0.33732715 -0.24565593
|
||||
5*0.0 -0.23945523 -0.00696920 0.0 0.29994675 0.16993527 5*0.0 0.40222032 0.31372079 0.0 -0.34727642 -0.25343665
|
||||
5*0.0 -0.28867205 -0.02538659 0.0 0.26392506 0.16551433 5*0.0 0.40544878 0.32018512 0.0 -0.35614727 -0.26087020
|
||||
5*0.0 -0.32708898 -0.04428761 0.0 0.23627396 0.16406039 5*0.0 0.40364995 0.32583924 0.0 -0.36462508 -0.26819426
|
||||
5*0.0 -0.35262954 -0.06282982 0.0 0.21837387 0.16628876 5*0.0 0.39625077 0.33050133 0.0 -0.37318672 -0.27554720
|
||||
5*0.0 -0.36510706 -0.08030623 0.0 0.21006830 0.17212069 5*0.0 0.38299297 0.33400788 0.0 -0.38209970 -0.28297296
|
||||
5*0.0 -0.36551636 -0.09619232 0.0 0.21026380 0.18101005 5*0.0 0.36391459 0.33622578 0.0 -0.39144609 -0.29043605
|
||||
5*0.0 -0.35548402 -0.11014502 0.0 0.21739374 0.19218779 5*0.0 0.33930970 0.33705888 0.0 -0.40115876 -0.29784119
|
||||
5*0.0 -0.33689250 -0.12197883 0.0 0.22973707 0.20482615 5*0.0 0.30967828 0.33645031 0.0 -0.41106113 -0.30505379
|
||||
5*0.0 -0.31164696 -0.13163446 0.0 0.24561679 0.21813852 5*0.0 0.27567461 0.33438175 0.0 -0.42090465 -0.31191881
|
||||
5*0.0 -0.28154232 -0.13914786 0.0 0.26351218 0.23143353 5*0.0 0.23805860 0.33087049 0.0 -0.43040138 -0.31827649
|
||||
5*0.0 -0.24819338 -0.14462301 0.0 0.28211442 0.24413936 5*0.0 0.19765242 0.32596537 0.0 -0.43925050 -0.32397466
|
||||
5*0.0 -0.21300226 -0.14820950 0.0 0.30034726 0.25580945 5*0.0 0.15530315 0.31974200 0.0 -0.44715909 -0.32887739
|
||||
5*0.0 -0.17666723 -0.15009583 0.0 0.31685848 0.26611882 5*0.0 0.11185140 0.31229771 0.0 -0.45385756 -0.33287061
|
||||
5*0.0 -0.14158954 -0.15043942 0.0 0.33254509 0.27484578 5*0.0 0.06810560 0.30374667 0.0 -0.45911074 -0.33586498
|
||||
5*0.0 -0.10707875 -0.14946836 0.0 0.34545319 0.28187100 5*0.0 0.02482149 0.29421513 0.0 -0.46272522 -0.33779679
|
||||
5*0.0 -0.07417936 -0.14736148 0.0 0.35582933 0.28714773 5*0.0 -0.01731361 0.28383715 0.0 -0.46455361 -0.33862733
|
||||
5*0.0 -0.04329097 -0.14429918 0.0 0.36355257 0.29069257 5*0.0 -0.05769216 0.27275062 0.0 -0.46449633 -0.33834120
|
||||
5*0.0 -0.01467507 -0.14044874 0.0 0.36861344 0.29256893 5*0.0 -0.09579375 0.26109386 0.0 -0.46250124 -0.33694405
|
||||
5*0.0 0.01151859 -0.13596241 0.0 0.37108698 0.29287342 5*0.0 -0.13118899 0.24900269 0.0 -0.45856162 -0.33445993
|
||||
5*0.0 0.03522717 -0.13097669 0.0 0.37110886 0.29172432 5*0.0 -0.16354011 0.23660792 0.0 -0.45271281 -0.33092857
|
||||
5*0.0 0.05645270 -0.12561238 0.0 0.36885527 0.28925205 5*0.0 -0.19259898 0.22403338 0.0 -0.44502782 -0.32640271
|
||||
5*0.0 0.07524355 -0.11997531 0.0 0.36452692 0.28559190 5*0.0 -0.21820285 0.21139436 0.0 -0.43561225 -0.32094548
|
||||
5*0.0 0.09167974 -0.11415733 0.0 0.35833678 0.28087863 5*0.0 -0.24026830 0.19879646 0.0 -0.42459878 -0.31462807
|
||||
5*0.0 0.10586183 -0.10823757 0.0 0.35050133 0.27524281 5*0.0 -0.25878388 0.18633488 0.0 -0.41214145 -0.30752760
|
||||
5*0.0 0.11790303 -0.10228369 0.0 0.34123446 0.26880852 5*0.0 -0.27380181 0.17409392 0.0 -0.39841008 -0.29972515
|
||||
5*0.0 0.12792391 -0.09635316 0.0 0.33074360 0.26169212 5*0.0 -0.28542925 0.16214691 0.0 -0.38358482 -0.29130411
|
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5*0.0 0.13604896 -0.09049438 0.0 0.31922723 0.25400178 5*0.0 -0.29381923 0.15055631 0.0 -0.36785113 -0.28234865
|
||||
5*0.0 0.14240466 -0.08474780 0.0 0.30687354 0.24583749 5*0.0 -0.29916187 0.13937401 0.0 -0.35139523 -0.27294248
|
||||
5*0.0 0.14711831 -0.07914680 0.0 0.29385960 0.23729141 5*0.0 -0.30167584 0.12864184 0.0 -0.33440014 -0.26316772
|
||||
5*0.0 0.15031731 -0.07371857 0.0 0.28035092 0.22844833 5*0.0 -0.30160036 0.11839219 0.0 -0.31704227 -0.25310400
|
||||
5*0.0 0.15212871 -0.06848481 0.0 0.26650116 0.21938613 5*0.0 -0.29918790 0.10864869 0.0 -0.29948869 -0.24282765
|
||||
5*0.0 0.15267873 -0.06346234 0.0 0.25245197 0.21017632 5*0.0 -0.29469767 0.09942702 0.0 -0.28189487 -0.23241111
|
||||
5*0.0 0.15209219 -0.05866373 0.0 0.23833276 0.20088435 5*0.0 -0.28838982 0.09073565 0.0 -0.26440317 -0.22192240
|
||||
5*0.0 0.15049188 -0.05409775 0.0 0.22426069 0.19157000 5*0.0 -0.28052059 0.08257673 0.0 -0.24714169 -0.21142477
|
||||
5*0.0 0.14799779 -0.04976983 0.0 0.21034053 0.18228761 5*0.0 -0.27133818 0.07494682 0.0 -0.23022367 -0.20097642
|
||||
5*0.0 0.14472634 -0.04568250 0.0 0.19666478 0.17308626 5*0.0 -0.26107948 0.06783774 0.0 -0.21374732 -0.19063035
|
||||
5*0.0 0.14078954 -0.04183574 0.0 0.18331379 0.16400995 5*0.0 -0.24996749 0.06123726 0.0 -0.19779594 -0.18043426
|
||||
5*0.0 0.13629424 -0.03822734 0.0 0.17035607 0.15509773 5*0.0 -0.23820943 0.05512984 0.0 -0.18243837 -0.17043055
|
||||
5*0.0 0.13134139 -0.03485324 0.0 0.15784868 0.14638384 5*0.0 -0.22599545 0.04949723 0.0 -0.16772965 -0.16065644
|
||||
5*0.0 0.12602550 -0.03170779 0.0 0.14583775 0.13789788 5*0.0 -0.21349789 0.04431914 0.0 -0.15371190 -0.15114402
|
||||
5*0.0 0.12043413 -0.02878407 0.0 0.13435917 0.12966495 5*0.0 -0.20087099 0.03957370 0.0 -0.14041526 -0.14192051
|
||||
5*0.0 0.11464758 -0.02607411 0.0 0.12343928 0.12170588 5*0.0 -0.18825101 0.03523798 0.0 -0.12785900 -0.13300843
|
||||
5*0.0 0.10873872 -0.02356912 0.0 0.11309568 0.11403742 5*0.0 -0.17575661 0.03128840 0.0 -0.11605256 -0.12442590
|
||||
5*0.0 0.10277290 -0.02125970 0.0 0.10333811 0.10667248 5*0.0 -0.16348956 0.02770110 0.0 -0.10499676 -0.11618687
|
||||
5*0.0 0.09680811 -0.01913606 0.0 0.09416929 0.09962046 5*0.0 -0.15153565 0.02445225 0.0 -0.09468483 -0.10830148
|
||||
5*0.0 0.09089505 -0.01718810 0.0 0.08558579 0.09288747 5*0.0 -0.13996563 0.02151831 0.0 -0.08510355 -0.10077632
|
||||
5*0.0 0.08507753 -0.01540565 0.0 0.07757890 0.08647662 5*0.0 -0.12883644 0.01887627 0.0 -0.07623424 -0.09361479
|
||||
5*0.0 0.07939271 -0.01377851 0.0 0.07013545 0.08038839 5*0.0 -0.11819232 0.01650379 0.0 -0.06805374 -0.08681738
|
||||
5*0.0 0.07387161 -0.01229661 0.0 0.06323856 0.07462084 5*0.0 -0.10806608 0.01437939 0.0 -0.06053529 -0.08038203
|
||||
5*0.0 0.06853946 -0.01095007 0.0 0.05686841 0.06916999 5*0.0 -0.09848026 0.01248250 0.0 -0.05364937 -0.07430438
|
||||
5*0.0 0.06341628 -0.00972928 0.0 0.05100285 0.06403002 5*0.0 -0.08944839 0.01079361 0.0 -0.04736441 -0.06857812
|
||||
5*0.0 0.05851728 -0.00862495 0.0 0.04561802 0.05919363 5*0.0 -0.08097605 0.00929425 0.0 -0.04164745 -0.06319523
|
||||
5*0.0 0.05385339 -0.00762818 0.0 0.04068889 0.05465220 5*0.0 -0.07306204 0.00796706 0.0 -0.03646474 -0.05814627
|
||||
5*0.0 0.04943171 -0.00673045 0.0 0.03618971 0.05039611 5*0.0 -0.06569938 0.00679582 0.0 -0.03178224 -0.05342062
|
||||
5*0.0 0.04525603 -0.00592367 0.0 0.03209440 0.04641491 5*0.0 -0.05887621 0.00576538 0.0 -0.02756600 -0.04900671
|
||||
5*0.0 0.04132718 -0.00520022 0.0 0.02837694 0.04269755 5*0.0 -0.05257674 0.00486172 0.0 -0.02378260 -0.04489223
|
||||
5*0.0 0.03764352 -0.00455290 0.0 0.02501160 0.03923251 5*0.0 -0.04678199 0.00407186 0.0 -0.02039938 -0.04106430
|
||||
5*0.0 0.03420128 -0.00397496 0.0 0.02197322 0.03600801 5*0.0 -0.04147051 0.00338388 0.0 -0.01738474 -0.03750971
|
||||
5*0.0 0.03099495 -0.00346012 0.0 0.01923739 0.03301212 5*0.0 -0.03661904 0.00278682 0.0 -0.01470829 -0.03421499
|
||||
5*0.0 0.02801755 -0.00300252 0.0 0.01678061 0.03023290 5*0.0 -0.03220304 0.00227067 0.0 -0.01234103 -0.03116661
|
||||
5*0.0 0.02526097 -0.00259671 0.0 0.01458036 0.02765847 5*0.0 -0.02819717 0.00182632 0.0 -0.01025540 -0.02835106
|
||||
5*0.0 0.02271620 -0.00223769 0.0 0.01261526 0.02527713 5*0.0 -0.02457576 0.00144549 0.0 -0.00842544 -0.02575500
|
||||
5*0.0 0.02037358 -0.00192080 0.0 0.01086504 0.02307744 5*0.0 -0.02131309 0.00112067 0.0 -0.00682675 -0.02336528
|
||||
5*0.0 0.01822297 -0.00164181 0.0 0.00931063 0.02104822 5*0.0 -0.01838378 0.00084511 0.0 -0.00543653 -0.02116909
|
||||
5*0.0 0.01625397 -0.00139680 0.0 0.00793416 0.01917870 5*0.0 -0.01576294 0.00061273 0.0 -0.00423358 -0.01915397
|
||||
5*0.0 0.01445605 -0.00118221 0.0 0.00671894 0.01745844 5*0.0 -0.01342646 0.00041805 0.0 -0.00319829 -0.01730786
|
||||
5*0.0 0.01281866 -0.00099479 0.0 0.00564943 0.01587746 5*0.0 -0.01135110 0.00025620 0.0 -0.00231254 -0.01561920
|
||||
5*0.0 0.01133137 -0.00083157 0.0 0.00471127 0.01442619 5*0.0 -0.00951466 0.00012283 0.0 -0.00155970 -0.01407686
|
||||
5*0.0 0.00998397 -0.00068986 0.0 0.00389117 0.01309553 5*0.0 -0.00789601 0.00001405 0.0 -0.00092457 -0.01267027
|
||||
5*0.0 0.00876647 -0.00056724 0.0 0.00317691 0.01187682 5*0.0 -0.00647522 -0.00007356 0.0 -0.00039326 -0.01138933
|
||||
5*0.0 0.00766926 -0.00046152 0.0 0.00255728 0.01076187 5*0.0 -0.00523355 -0.00014304 0.0 0.00004682 -0.01022450
|
||||
5*0.0 0.00668309 -0.00037070 0.0 0.00202203 0.00974294 5*0.0 -0.00415346 -0.00019706 0.0 0.00040708 -0.00916675
|
||||
5*0.0 0.00579911 -0.00029301 0.0 0.00156179 0.00881272 5*0.0 -0.00321863 -0.00023797 0.0 0.00069781 -0.00820760
|
||||
5*0.0 0.00500891 -0.00022685 0.0 0.00116807 0.00796439 5*0.0 -0.00241393 -0.00026783 0.0 0.00092824 -0.00733904
|
||||
5*0.0 0.00430455 -0.00017079 0.0 0.00083316 0.00719150 5*0.0 -0.00172540 -0.00028844 0.0 0.00110666 -0.00655362
|
||||
5*0.0 0.00367853 -0.00012357 0.0 0.00055006 0.00648805 5*0.0 -0.00114020 -0.00030135 0.0 0.00124046 -0.00584433
|
||||
5*0.0 0.00312381 -0.00008403 0.0 0.00031250 0.00584842 5*0.0 -0.00064657 -0.00030792 0.0 0.00133621 -0.00520467
|
||||
5*0.0 0.00263381 -0.00005116 0.0 0.00011481 0.00526739 5*0.0 -0.00023378 -0.00030932 0.0 0.00139974 -0.00462858
|
||||
5*0.0 0.00220241 -0.00002408 0.0 -0.00004809 0.00474008 5*0.0 0.00010794 -0.00030655 0.0 0.00143618 -0.00411044
|
||||
5*0.0 0.00182392 -0.00000198 0.0 -0.00018075 0.00426198 5*0.0 0.00038741 -0.00030047 0.0 0.00145005 -0.00364504
|
||||
5*0.0 0.00149307 0.00001583 0.0 -0.00028721 0.00382888 5*0.0 0.00061263 -0.00029182 0.0 0.00144532 -0.00322759
|
||||
5*0.0 0.00120500 0.00002998 0.0 -0.00037110 0.00343692 5*0.0 0.00079076 -0.00028121 0.0 0.00142544 -0.00285364
|
||||
5*0.0 0.00095524 0.00004100 0.0 -0.00043559 0.00308268 5*0.0 0.00092826 -0.00026917 0.0 0.00139340 -0.00251911
|
||||
5*0.0 0.00073972 0.00004938 0.0 -0.00048358 0.00276234 5*0.0 0.00103087 -0.00025614 0.0 0.00135179 -0.00222026
|
||||
5*0.0 0.00055466 0.00005551 0.0 -0.00051751 0.00247335 5*0.0 0.00110372 -0.00024247 0.0 0.00130284 -0.00195364
|
||||
5*0.0 0.00039666 0.00005978 0.0 -0.00053960 0.00221275 5*0.0 0.00115134 -0.00022847 0.0 0.00124845 -0.00171611
|
||||
5*0.0 0.00026260 0.00006249 0.0 -0.00055178 0.00197794 5*0.0 0.00117774 -0.00021438 0.0 0.00119024 -0.00150479
|
||||
5*0.0 0.00014968 0.00006391 0.0 -0.00055574 0.00176656 5*0.0 0.00118647 -0.00020040 0.0 0.00112957 -0.00131705
|
||||
5*0.0 0.00005533 0.00006428 0.0 -0.00055295 0.00157643 5*0.0 0.00118062 -0.00018669 0.0 0.00106757 -0.00115051
|
||||
5*0.0 -0.00002272 0.00006379 0.0 -0.00054467 0.00140557 5*0.0 0.00116289 -0.00017336 0.0 0.00100520 -0.00100299
|
||||
5*0.0 -0.00008657 0.00006263 0.0 -0.00053202 0.00125215 5*0.0 0.00113564 -0.00016052 0.0 0.00094323 -0.00087251
|
||||
5*0.0 -0.00013804 0.00006094 0.0 -0.00051593 0.00111451 5*0.0 0.00110089 -0.00014822 0.0 0.00088229 -0.00075728
|
||||
5*0.0 -0.00017882 0.00005884 0.0 -0.00049722 0.00099114 5*0.0 0.00106041 -0.00013651 0.0 0.00082287 -0.00065568
|
||||
5*0.0 -0.00021037 0.00005645 0.0 -0.00047658 0.00088065 5*0.0 0.00101568 -0.00012542 0.0 0.00076536 -0.00056624
|
||||
5*0.0 -0.00023400 0.00005384 0.0 -0.00045459 0.00078178 5*0.0 0.00096798 -0.00011498 0.0 0.00071005 -0.00048764
|
||||
5*0.0 -0.00025090 0.00005109 0.0 -0.00043175 0.00069338 5*0.0 0.00091839 -0.00010518 0.0 0.00065717 -0.00041869
|
||||
5*0.0 -0.00026208 0.00004826 0.0 -0.00040846 0.00061442 5*0.0 0.00086780 -0.00009602 0.0 0.00060685 -0.00035832
|
||||
5*0.0 -0.00026845 0.00004541 0.0 -0.00038507 0.00054394 5*0.0 0.00081696 -0.00008749 0.0 0.00055919 -0.00030554
|
||||
5*0.0 -0.00027082 0.00004257 0.0 -0.00036184 0.00048109 5*0.0 0.00076649 -0.00007957 0.0 0.00051423 -0.00025951
|
||||
5*0.0 -0.00026988 0.00003977 0.0 -0.00033901 0.00042510 5*0.0 0.00071687 -0.00007224 0.0 0.00047197 -0.00021945
|
||||
5*0.0 -0.00026624 0.00003705 0.0 -0.00031676 0.00037525 5*0.0 0.00066852 -0.00006547 0.0 0.00043238 -0.00018465
|
||||
5*0.0 -0.00026042 0.00003441 0.0 -0.00029521 0.00033092 5*0.0 0.00062173 -0.00005924 0.0 0.00039542 -0.00015450
|
||||
5*0.0 -0.00025289 0.00003188 0.0 -0.00027447 0.00029152 5*0.0 0.00057673 -0.00005352 0.0 0.00036099 -0.00012844
|
||||
5*0.0 -0.00024403 0.00002946 0.0 -0.00025463 0.00025655 5*0.0 0.00053371 -0.00004827 0.0 0.00032903 -0.00010597
|
||||
5*0.0 -0.00023419 0.00002716 0.0 -0.00023573 0.00022552 5*0.0 0.00049278 -0.00004347 0.0 0.00029942 -0.00008666
|
||||
5*0.0 -0.00022364 0.00002499 0.0 -0.00021781 0.00019803 5*0.0 0.00045400 -0.00003909 0.0 0.00027206 -0.00007012
|
||||
5*0.0 -0.00021264 0.00002295 0.0 -0.00020088 0.00017369 5*0.0 0.00041741 -0.00003510 0.0 0.00024682 -0.00005600
|
||||
5*0.0 -0.00020137 0.00002103 0.0 -0.00018493 0.00015216 5*0.0 0.00038302 -0.00003148 0.0 0.00022361 -0.00004398
|
||||
5*0.0 -0.00019002 0.00001924 0.0 -0.00016997 0.00013314 5*0.0 0.00035080 -0.00002819 0.0 0.00020229 -0.00003380
|
||||
5*0.0 -0.00017872 0.00001757 0.0 -0.00015597 0.00011635 5*0.0 0.00032071 -0.00002521 0.0 0.00018275 -0.00002522
|
||||
5*0.0 -0.00016758 0.00001602 0.0 -0.00014290 0.00010154 5*0.0 0.00029268 -0.00002251 0.0 0.00016487 -0.00001802
|
||||
5*0.0 -0.00015670 0.00001459 0.0 -0.00013074 0.00008849 5*0.0 0.00026665 -0.00002007 0.0 0.00014855 -0.00001203
|
||||
5*0.0 -0.00014614 0.00001326 0.0 -0.00011945 0.00007701 5*0.0 0.00024254 -0.00001788 0.0 0.00013366 -0.00000706
|
||||
5*0.0 -0.00013596 0.00001203 0.0 -0.00010898 0.00006692 5*0.0 0.00022025 -0.00001590 0.0 0.00012011 -0.00000298
|
||||
5*0.0 -0.00012620 0.00001091 0.0 -0.00009930 0.00005805 5*0.0 0.00019970 -0.00001412 0.0 0.00010780 0.00000033
|
||||
5*0.0 -0.00011689 0.00000987 0.0 -0.00009037 0.00005028 5*0.0 0.00018080 -0.00001253 0.0 0.00009663 0.00000300
|
||||
5*0.0 -0.00010804 0.00000892 0.0 -0.00008214 0.00004347 5*0.0 0.00016343 -0.00001110 0.0 0.00008650 0.00000511
|
||||
5*0.0 -0.00009967 0.00000806 0.0 -0.00007457 0.00003751 5*0.0 0.00014752 -0.00000982 0.0 0.00007734 0.00000674
|
||||
5*0.0 -0.00009179 0.00000727 0.0 -0.00006762 0.00003230 5*0.0 0.00013296 -0.00000867 0.0 0.00006907 0.00000799
|
||||
5*0.0 -0.00008437 0.00000654 0.0 -0.00006125 0.00002776 5*0.0 0.00011967 -0.00000765 0.0 0.00006160 0.00000889
|
||||
5*0.0 -0.00007743 0.00000589 0.0 -0.00005542 0.00002380 5*0.0 0.00010755 -0.00000674 0.0 0.00005487 0.00000952
|
||||
5*0.0 -0.00007094 0.00000529 0.0 -0.00005009 0.00002035 5*0.0 0.00009652 -0.00000593 0.0 0.00004881 0.00000992
|
||||
5*0.0 -0.00006490 0.00000475 0.0 -0.00004523 0.00001736 5*0.0 0.00008651 -0.00000521 0.0 0.00004337 0.00001012
|
||||
5*0.0 -0.00005928 0.00000426 0.0 -0.00004080 0.00001476 5*0.0 0.00007742 -0.00000457 0.0 0.00003849 0.00001017
|
||||
5*0.0 -0.00005408 0.00000381 0.0 -0.00003676 0.00001251 5*0.0 0.00006919 -0.00000400 0.0 0.00003411 0.00001009
|
||||
5*0.0 -0.00004926 0.00000341 0.0 -0.00003310 0.00001056 5*0.0 0.00006175 -0.00000349 0.0 0.00003019 0.00000992
|
||||
5*0.0 -0.00004481 0.00000305 0.0 -0.00002976 0.00000888 5*0.0 0.00005503 -0.00000305 0.0 0.00002668 0.00000966
|
||||
5*0.0 -0.00004070 0.00000272 0.0 -0.00002674 0.00000744 5*0.0 0.00004897 -0.00000266 0.0 0.00002355 0.00000935
|
||||
5*0.0 -0.00003693 0.00000243 0.0 -0.00002401 0.00000619 5*0.0 0.00004351 -0.00000231 0.0 0.00002076 0.00000899
|
||||
5*0.0 -0.00003346 0.00000216 0.0 -0.00002153 0.00000513 5*0.0 0.00003861 -0.00000201 0.0 0.00001828 0.00000859
|
||||
5*0.0 -0.00003029 0.00000192 0.0 -0.00001929 0.00000422 5*0.0 0.00003421 -0.00000174 0.0 0.00001606 0.00000818
|
||||
5*0.0 -0.00002738 0.00000171 0.0 -0.00001727 0.00000344 5*0.0 0.00003026 -0.00000150 0.0 0.00001410 0.00000776
|
||||
5*0.0 -0.00002472 0.00000152 0.0 -0.00001545 0.00000278 5*0.0 0.00002672 -0.00000129 0.0 0.00001235 0.00000733
|
||||
5*0.0 -0.00002229 0.00000135 0.0 -0.00001380 0.00000222 5*0.0 0.00002357 -0.00000111 0.0 0.00001081 0.00000690
|
||||
5*0.0 -0.00002008 0.00000119 0.0 -0.00001233 0.00000175 5*0.0 0.00002075 -0.00000096 0.0 0.00000944 0.00000647
|
||||
5*0.0 -0.00001807 0.00000106 0.0 -0.00001100 0.00000135 5*0.0 0.00001823 -0.00000082 0.0 0.00000823 0.00000606
|
||||
5*0.0 -0.00001624 0.00000093 0.0 -0.00000980 0.00000101 5*0.0 0.00001599 -0.00000070 0.0 0.00000716 0.00000566
|
||||
5*0.0 -0.00001458 0.00000083 0.0 -0.00000873 0.00000074 5*0.0 0.00001400 -0.00000059 0.0 0.00000622 0.00000527
|
||||
5*0.0 -0.00001308 0.00000073 0.0 -0.00000776 0.00000051 5*0.0 0.00001224 -0.00000050 0.0 0.00000539 0.00000490
|
||||
5*0.0 -0.00001172 0.00000064 0.0 -0.00000690 0.00000032 5*0.0 0.00001067 -0.00000042 0.0 0.00000466 0.00000454
|
||||
5*0.0 -0.00001049 0.00000057 0.0 -0.00000613 0.00000016 5*0.0 0.00000929 -0.00000036 0.0 0.00000402 0.00000421
|
||||
5*0.0 -0.00000937 0.00000050 0.0 -0.00000544 0.00000004 5*0.0 0.00000806 -0.00000030 0.0 0.00000346 0.00000389
|
||||
5*0.0 -0.00000837 0.00000044 0.0 -0.00000482 -0.00000006 5*0.0 0.00000698 -0.00000025 0.0 0.00000297 0.00000359
|
||||
5*0.0 -0.00000747 0.00000038 0.0 -0.00000427 -0.00000014 5*0.0 0.00000603 -0.00000020 0.0 0.00000254 0.00000331
|
||||
5*0.0 -0.00000665 0.00000034 0.0 -0.00000378 -0.00000020 5*0.0 0.00000520 -0.00000017 0.0 0.00000217 0.00000305
|
||||
5*0.0 -0.00000592 0.00000029 0.0 -0.00000334 -0.00000025 5*0.0 0.00000446 -0.00000014 0.0 0.00000185 0.00000280
|
||||
5*0.0 -0.00000526 0.00000026 0.0 -0.00000295 -0.00000028 5*0.0 0.00000382 -0.00000011 0.0 0.00000156 0.00000257
|
||||
5*0.0 -0.00000468 0.00000023 0.0 -0.00000261 -0.00000031 5*0.0 0.00000326 -0.00000009 0.0 0.00000132 0.00000236
|
||||
5*0.0 -0.00000415 0.00000020 0.0 -0.00000230 -0.00000032 5*0.0 0.00000277 -0.00000007 0.0 0.00000111 0.00000216
|
||||
5*0.0 -0.00000368 0.00000017 0.0 -0.00000203 -0.00000033 5*0.0 0.00000234 -0.00000005 0.0 0.00000092 0.00000197
|
||||
5*0.0 -0.00000325 0.00000015 0.0 -0.00000178 -0.00000033 5*0.0 0.00000197 -0.00000004 0.0 0.00000077 0.00000180
|
||||
5*0.0 -0.00000288 0.00000013 0.0 -0.00000157 -0.00000033 5*0.0 0.00000165 -0.00000003 0.0 0.00000063 0.00000165
|
||||
5*0.0 -0.00000254 0.00000011 0.0 -0.00000138 -0.00000032 5*0.0 0.00000137 -0.00000002 0.0 0.00000051 0.00000150
|
||||
5*0.0 -0.00000224 0.00000010 0.0 -0.00000121 -0.00000031 5*0.0 0.00000113 -0.00000001 0.0 0.00000042 0.00000137
|
||||
5*0.0 -0.00000197 0.00000008 0.0 -0.00000106 -0.00000030 5*0.0 0.00000092 2*0.0 0.00000033 0.00000125
|
||||
5*0.0 -0.00000173 0.00000007 0.0 -0.00000093 -0.00000029 5*0.0 0.00000074 2*0.0 0.00000026 0.00000114
|
||||
5*0.0 -0.00000152 0.00000006 0.0 -0.00000081 -0.00000028 5*0.0 0.00000059 0.00000001 0.0 0.00000020 0.00000103
|
||||
5*0.0 -0.00000134 0.00000005 0.0 -0.00000071 -0.00000026 5*0.0 0.00000046 0.00000001 0.0 0.00000015 0.00000094
|
||||
5*0.0 -0.00000117 0.00000005 0.0 -0.00000062 -0.00000025 5*0.0 0.00000035 0.00000001 0.0 0.00000011 0.00000085
|
||||
5*0.0 -0.00000102 0.00000004 0.0 -0.00000054 -0.00000023 5*0.0 0.00000026 0.00000001 0.0 0.00000007 0.00000077
|
||||
5*0.0 -0.00000089 0.00000003 0.0 -0.00000047 -0.00000022 5*0.0 0.00000018 0.00000001 0.0 0.00000004 0.00000070
|
||||
5*0.0 -0.00000078 0.00000003 0.0 -0.00000041 -0.00000021 5*0.0 0.00000012 0.00000002 0.0 0.00000002 0.00000063
|
||||
5*0.0 -0.00000068 0.00000002 0.0 -0.00000035 -0.00000019 5*0.0 0.00000007 0.00000002 2*0.0 0.00000057
|
||||
5*0.0 -0.00000059 0.00000002 0.0 -0.00000031 -0.00000018 5*0.0 0.00000002 0.00000002 0.0 -0.00000002 0.00000052
|
||||
5*0.0 -0.00000051 0.00000002 0.0 -0.00000026 -0.00000017 5*0.0 -0.00000001 0.00000002 0.0 -0.00000003 0.00000047
|
||||
5*0.0 -0.00000044 0.00000001 0.0 -0.00000023 -0.00000015 5*0.0 -0.00000004 0.00000002 0.0 -0.00000004 0.00000042
|
||||
5*0.0 -0.00000038 0.00000001 0.0 -0.00000020 -0.00000014 5*0.0 -0.00000006 0.00000002 0.0 -0.00000004 0.00000038
|
||||
5*0.0 -0.00000033 0.00000001 0.0 -0.00000017 -0.00000013 5*0.0 -0.00000008 0.00000001 0.0 -0.00000005 0.00000035
|
||||
5*0.0 -0.00000028 0.00000001 0.0 -0.00000015 -0.00000012 5*0.0 -0.00000010 0.00000001 0.0 -0.00000005 0.00000031
|
||||
5*0.0 -0.00000024 0.00000001 0.0 -0.00000012 -0.00000011 5*0.0 -0.00000010 0.00000001 0.0 -0.00000006 0.00000028
|
||||
5*0.0 -0.00000021 0.00000001 0.0 -0.00000011 -0.00000010 5*0.0 -0.00000011 0.00000001 0.0 -0.00000006 0.00000025
|
||||
5*0.0 -0.00000018 2*0.0 -0.00000009 -0.00000009 5*0.0 -0.00000012 0.00000001 0.0 -0.00000006 0.00000023
|
||||
5*0.0 -0.00000015 2*0.0 -0.00000008 -0.00000009 5*0.0 -0.00000012 0.00000001 0.0 -0.00000006 0.00000021
|
||||
5*0.0 -0.00000013 2*0.0 -0.00000007 -0.00000008 5*0.0 -0.00000012 0.00000001 0.0 -0.00000006 0.00000019
|
||||
5*0.0 -0.00000011 2*0.0 -0.00000006 -0.00000007 5*0.0 -0.00000012 0.00000001 0.0 -0.00000005 0.00000017
|
||||
5*0.0 -0.00000009 2*0.0 -0.00000005 -0.00000007 5*0.0 -0.00000011 0.00000001 0.0 -0.00000005 0.00000015
|
||||
5*0.0 -0.00000007 2*0.0 -0.00000004 -0.00000006 5*0.0 -0.00000011 0.00000001 0.0 -0.00000005 0.00000014
|
||||
5*0.0 -0.00000006 2*0.0 -0.00000003 -0.00000005 5*0.0 -0.00000011 0.00000001 0.0 -0.00000005 0.00000012
|
||||
5*0.0 -0.00000005 2*0.0 -0.00000003 -0.00000005 5*0.0 -0.00000010 0.00000001 0.0 -0.00000005 0.00000011
|
||||
5*0.0 -0.00000004 2*0.0 -0.00000002 -0.00000005 5*0.0 -0.00000010 0.00000001 0.0 -0.00000004 0.00000010
|
||||
5*0.0 -0.00000003 2*0.0 -0.00000002 -0.00000004 5*0.0 -0.00000009 0.00000001 0.0 -0.00000004 0.00000009
|
||||
5*0.0 -0.00000003 2*0.0 -0.00000001 -0.00000004 5*0.0 -0.00000009 0.00000001 0.0 -0.00000004 0.00000008
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000003 5*0.0 -0.00000008 0.00000001 0.0 -0.00000004 0.00000007
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000003 5*0.0 -0.00000008 0.00000001 0.0 -0.00000003 0.00000006
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000001 -0.00000003 5*0.0 -0.00000008 2*0.0 -0.00000003 0.00000006
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000001 -0.00000003 5*0.0 -0.00000007 2*0.0 -0.00000003 0.00000005
|
||||
5*0.0 -0.00000001 3*0.0 -0.00000002 5*0.0 -0.00000007 2*0.0 -0.00000003 0.00000005
|
||||
201
tests/DFTB/nonscc/clli_exp
Normal file
201
tests/DFTB/nonscc/clli_exp
Normal file
|
|
@ -0,0 +1,201 @@
|
|||
0.1 200
|
||||
0.0 0.013 -0.0015 0.002 5*0.0 5.45 6.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 0.69713568 0.65379354 0.0 0.06713110 -0.92277521 5*0.0 -0.86510359 -0.91972619 0.0 0.11726433 0.70540206
|
||||
5*0.0 0.67964074 0.66113293 0.0 0.04830759 -0.79322279 5*0.0 -0.81857609 -0.90431766 0.0 0.14974904 0.68759350
|
||||
5*0.0 0.63900976 0.66111967 0.0 0.01062634 -0.67289253 5*0.0 -0.76237276 -0.88547117 0.0 0.18357284 0.66885732
|
||||
5*0.0 0.58047517 0.65395898 0.0 -0.04068680 -0.57367112 5*0.0 -0.69763395 -0.86335505 0.0 0.21828035 0.65038532
|
||||
5*0.0 0.50971182 0.64044982 0.0 -0.10006130 -0.49862138 5*0.0 -0.62580054 -0.83821601 0.0 0.25323618 0.63298609
|
||||
5*0.0 0.43187926 0.62164334 0.0 -0.16257411 -0.44612548 5*0.0 -0.54849764 -0.81036249 0.0 0.28771241 0.61709972
|
||||
5*0.0 0.35127417 0.59864433 0.0 -0.22429609 -0.41251256 5*0.0 -0.46743061 -0.78014687 0.0 0.32096215 0.60286517
|
||||
5*0.0 0.27127401 0.57250450 0.0 -0.28232038 -0.39354888 5*0.0 -0.38429993 -0.74794877 0.0 0.35227508 0.59020278
|
||||
5*0.0 0.19440303 0.54417022 0.0 -0.33465594 -0.38520722 5*0.0 -0.30073550 -0.71416044 0.0 0.38101594 0.57889199
|
||||
5*0.0 0.12244180 0.51446147 0.0 -0.38007636 -0.38401293 5*0.0 -0.21824802 -0.67917448 0.0 0.40664885 0.56863521
|
||||
5*0.0 0.05654730 0.48406815 0.0 -0.41796446 -0.38715352 5*0.0 -0.13819459 -0.64337390 0.0 0.42875046 0.55910598
|
||||
5*0.0 -0.00262977 0.45355582 0.0 -0.44816927 -0.39246375 5*0.0 -0.06175620 -0.60712430 0.0 0.44701488 0.54998241
|
||||
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5*0.0 -0.00000089 0.00000015 0.0 -0.00000332 0.00000549 5*0.0 0.00000254 -0.00000019 0.0 0.00000311 -0.00000885
|
||||
5*0.0 -0.00000097 0.00000015 0.0 -0.00000306 0.00000501 5*0.0 0.00000240 -0.00000017 0.0 0.00000282 -0.00000794
|
||||
5*0.0 -0.00000102 0.00000014 0.0 -0.00000281 0.00000456 5*0.0 0.00000225 -0.00000016 0.0 0.00000255 -0.00000712
|
||||
5*0.0 -0.00000105 0.00000013 0.0 -0.00000258 0.00000414 5*0.0 0.00000210 -0.00000014 0.0 0.00000230 -0.00000638
|
||||
5*0.0 -0.00000106 0.00000012 0.0 -0.00000237 0.00000376 5*0.0 0.00000195 -0.00000012 0.0 0.00000207 -0.00000571
|
||||
5*0.0 -0.00000105 0.00000011 0.0 -0.00000217 0.00000341 5*0.0 0.00000180 -0.00000011 0.0 0.00000186 -0.00000510
|
||||
5*0.0 -0.00000103 0.00000010 0.0 -0.00000198 0.00000309 5*0.0 0.00000165 -0.00000009 0.0 0.00000166 -0.00000456
|
||||
5*0.0 -0.00000101 0.00000010 0.0 -0.00000181 0.00000279 5*0.0 0.00000151 -0.00000008 0.0 0.00000149 -0.00000407
|
||||
5*0.0 -0.00000097 0.00000009 0.0 -0.00000165 0.00000252 5*0.0 0.00000138 -0.00000007 0.0 0.00000133 -0.00000363
|
||||
5*0.0 -0.00000094 0.00000008 0.0 -0.00000150 0.00000228 5*0.0 0.00000125 -0.00000006 0.0 0.00000118 -0.00000324
|
||||
5*0.0 -0.00000089 0.00000007 0.0 -0.00000136 0.00000205 5*0.0 0.00000113 -0.00000005 0.0 0.00000105 -0.00000289
|
||||
5*0.0 -0.00000085 0.00000007 0.0 -0.00000124 0.00000185 5*0.0 0.00000102 -0.00000005 0.0 0.00000093 -0.00000257
|
||||
5*0.0 -0.00000080 0.00000006 0.0 -0.00000112 0.00000167 5*0.0 0.00000091 -0.00000004 0.0 0.00000082 -0.00000229
|
||||
5*0.0 -0.00000075 0.00000006 0.0 -0.00000101 0.00000150 5*0.0 0.00000082 -0.00000003 0.0 0.00000073 -0.00000203
|
||||
5*0.0 -0.00000070 0.00000005 0.0 -0.00000092 0.00000134 5*0.0 0.00000073 -0.00000003 0.0 0.00000064 -0.00000181
|
||||
5*0.0 -0.00000066 0.00000005 0.0 -0.00000083 0.00000121 5*0.0 0.00000064 -0.00000002 0.0 0.00000056 -0.00000160
|
||||
5*0.0 -0.00000061 0.00000004 0.0 -0.00000075 0.00000108 5*0.0 0.00000057 -0.00000002 0.0 0.00000049 -0.00000142
|
||||
5*0.0 -0.00000056 0.00000004 0.0 -0.00000067 0.00000097 5*0.0 0.00000050 -0.00000001 0.0 0.00000043 -0.00000126
|
||||
5*0.0 -0.00000052 0.00000003 0.0 -0.00000060 0.00000087 5*0.0 0.00000044 -0.00000001 0.0 0.00000038 -0.00000112
|
||||
5*0.0 -0.00000048 0.00000003 0.0 -0.00000054 0.00000078 5*0.0 0.00000038 -0.00000001 0.0 0.00000033 -0.00000099
|
||||
5*0.0 -0.00000044 0.00000003 0.0 -0.00000049 0.00000069 5*0.0 0.00000033 -0.00000001 0.0 0.00000028 -0.00000088
|
||||
5*0.0 -0.00000040 0.00000002 0.0 -0.00000044 0.00000062 5*0.0 0.00000028 2*0.0 0.00000025 -0.00000077
|
||||
5*0.0 -0.00000037 0.00000002 0.0 -0.00000039 0.00000055 5*0.0 0.00000024 2*0.0 0.00000021 -0.00000068
|
||||
5*0.0 -0.00000034 0.00000002 0.0 -0.00000035 0.00000049 5*0.0 0.00000020 2*0.0 0.00000018 -0.00000060
|
||||
5*0.0 -0.00000031 0.00000002 0.0 -0.00000031 0.00000044 5*0.0 0.00000017 2*0.0 0.00000015 -0.00000053
|
||||
5*0.0 -0.00000028 0.00000001 0.0 -0.00000028 0.00000039 5*0.0 0.00000014 2*0.0 0.00000013 -0.00000047
|
||||
5*0.0 -0.00000025 0.00000001 0.0 -0.00000025 0.00000035 5*0.0 0.00000012 2*0.0 0.00000011 -0.00000041
|
||||
5*0.0 -0.00000023 0.00000001 0.0 -0.00000022 0.00000031 5*0.0 0.00000010 2*0.0 0.00000009 -0.00000037
|
||||
5*0.0 -0.00000020 0.00000001 0.0 -0.00000020 0.00000028 5*0.0 0.00000008 2*0.0 0.00000008 -0.00000032
|
||||
5*0.0 -0.00000018 0.00000001 0.0 -0.00000018 0.00000025 5*0.0 0.00000006 2*0.0 0.00000006 -0.00000028
|
||||
5*0.0 -0.00000016 0.00000001 0.0 -0.00000016 0.00000022 5*0.0 0.00000004 2*0.0 0.00000005 -0.00000025
|
||||
5*0.0 -0.00000015 0.00000001 0.0 -0.00000014 0.00000019 5*0.0 0.00000003 2*0.0 0.00000004 -0.00000022
|
||||
5*0.0 -0.00000013 0.00000001 0.0 -0.00000012 0.00000017 5*0.0 0.00000002 2*0.0 0.00000003 -0.00000019
|
||||
5*0.0 -0.00000012 0.00000001 0.0 -0.00000011 0.00000015 5*0.0 0.00000001 2*0.0 0.00000003 -0.00000017
|
||||
5*0.0 -0.00000010 2*0.0 -0.00000010 0.00000013 8*0.0 0.00000002 -0.00000015
|
||||
5*0.0 -0.00000009 2*0.0 -0.00000008 0.00000012 8*0.0 0.00000002 -0.00000013
|
||||
5*0.0 -0.00000008 2*0.0 -0.00000007 0.00000011 5*0.0 -0.00000001 2*0.0 0.00000001 -0.00000011
|
||||
5*0.0 -0.00000007 2*0.0 -0.00000007 0.00000009 5*0.0 -0.00000001 2*0.0 0.00000001 -0.00000010
|
||||
5*0.0 -0.00000006 2*0.0 -0.00000006 0.00000008 5*0.0 -0.00000002 3*0.0 -0.00000009
|
||||
5*0.0 -0.00000006 2*0.0 -0.00000005 0.00000007 5*0.0 -0.00000002 3*0.0 -0.00000008
|
||||
5*0.0 -0.00000005 2*0.0 -0.00000004 0.00000006 5*0.0 -0.00000002 3*0.0 -0.00000007
|
||||
5*0.0 -0.00000004 2*0.0 -0.00000004 0.00000006 5*0.0 -0.00000002 3*0.0 -0.00000006
|
||||
5*0.0 -0.00000004 2*0.0 -0.00000003 0.00000005 5*0.0 -0.00000002 3*0.0 -0.00000005
|
||||
5*0.0 -0.00000003 2*0.0 -0.00000003 0.00000004 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000004
|
||||
5*0.0 -0.00000003 2*0.0 -0.00000003 0.00000004 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000004
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000002 0.00000003 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000003
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000002 0.00000003 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000003
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000002 0.00000003 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000003
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000001 0.00000002 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000002
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000001 0.00000002 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000002
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000001 0.00000002 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000002
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000001 0.00000002 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000001
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000001 0.00000001 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000001
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000001 0.00000001 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000001
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000001 0.00000001 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000001
|
||||
9*0.0 0.00000001 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000001
|
||||
9*0.0 0.00000001 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000001
|
||||
9*0.0 0.00000001 5*0.0 -0.00000002 2*0.0 -0.00000001 -0.00000001
|
||||
9*0.0 0.00000001 5*0.0 -0.00000001 2*0.0 -0.00000001 0.0
|
||||
9*0.0 0.00000001 5*0.0 -0.00000001 2*0.0 -0.00000001 0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
15*0.0 -0.00000001 4*0.0
|
||||
201
tests/DFTB/nonscc/clna_exp
Normal file
201
tests/DFTB/nonscc/clna_exp
Normal file
|
|
@ -0,0 +1,201 @@
|
|||
0.1 200
|
||||
0.000 0.0045 0.0025 0.0015 0.00025 4*0.0 6.05 7.00 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 0.18471361 -0.63882418 0.0 0.92092942 0.50119918 5*0.0 0.65421225 0.71473568 0.0 -0.27240549 -0.54399310
|
||||
5*0.0 0.28196876 -0.46168084 0.0 0.97433605 0.52043733 5*0.0 0.62369328 0.69951970 0.0 -0.31943998 -0.53889898
|
||||
5*0.0 0.24913517 -0.33911518 0.0 0.91953664 0.51373686 5*0.0 0.59678687 0.68459218 0.0 -0.35561182 -0.53273361
|
||||
5*0.0 0.14661917 -0.26188387 0.0 0.80774766 0.48411420 5*0.0 0.57263691 0.67030013 0.0 -0.38252523 -0.52557694
|
||||
5*0.0 0.02046685 -0.21864248 0.0 0.67869944 0.44352751 5*0.0 0.54948053 0.65664501 0.0 -0.40233198 -0.51785980
|
||||
5*0.0 -0.09996672 -0.19891017 0.0 0.55768107 0.40271426 5*0.0 0.52535091 0.64341493 0.0 -0.41720166 -0.51011729
|
||||
5*0.0 -0.19919277 -0.19418982 0.0 0.45775732 0.36838804 5*0.0 0.49854546 0.63029642 0.0 -0.42899968 -0.50281801
|
||||
5*0.0 -0.27132743 -0.19813491 0.0 0.38340384 0.34349092 5*0.0 0.46786038 0.61695688 0.0 -0.43913982 -0.49627758
|
||||
5*0.0 -0.31625708 -0.20628773 0.0 0.33389544 0.32834133 5*0.0 0.43264656 0.60309747 0.0 -0.44856411 -0.49063702
|
||||
5*0.0 -0.33686572 -0.21568294 0.0 0.30584403 0.32176285 5*0.0 0.39275854 0.58848125 0.0 -0.45779813 -0.48588125
|
||||
5*0.0 -0.33729167 -0.22446102 0.0 0.29484758 0.32191373 5*0.0 0.34845659 0.57294372 0.0 -0.46703828 -0.48187702
|
||||
5*0.0 -0.32194017 -0.23154703 0.0 0.29644271 0.32680856 5*0.0 0.30030052 0.55639217 0.0 -0.47624282 -0.47841524
|
||||
5*0.0 -0.29497157 -0.23640424 0.0 0.30659088 0.33460730 5*0.0 0.24905399 0.53879885 0.0 -0.48521219 -0.47524935
|
||||
5*0.0 -0.26006110 -0.23885340 0.0 0.32188360 0.34375152 5*0.0 0.19560528 0.52019152 0.0 -0.49365396 -0.47212555
|
||||
5*0.0 -0.22030592 -0.23894343 0.0 0.33959106 0.35300866 5*0.0 0.14090405 0.50064303 0.0 -0.50123295 -0.46880422
|
||||
5*0.0 -0.17821218 -0.23686034 0.0 0.35762925 0.36146454 5*0.0 0.08591104 0.48026142 0.0 -0.50760870 -0.46507356
|
||||
5*0.0 -0.13572741 -0.23286407 0.0 0.37448741 0.36848920 5*0.0 0.03155823 0.45918054 0.0 -0.51246304 -0.46075692
|
||||
5*0.0 -0.09429896 -0.22724562 0.0 0.38913928 0.37369106 5*0.0 -0.02128281 0.43755182 0.0 -0.51551966 -0.45571560
|
||||
5*0.0 -0.05494663 -0.22029887 0.0 0.40095107 0.37686853 5*0.0 -0.07182531 0.41553693 0.0 -0.51655734 -0.44984869
|
||||
5*0.0 -0.01834031 -0.21230303 0.0 0.40959415 0.37796409 5*0.0 -0.11938521 0.39330144 0.0 -0.51541766 -0.44309101
|
||||
5*0.0 0.01512446 -0.20351272 0.0 0.41496725 0.37702387 5*0.0 -0.16339294 0.37100948 0.0 -0.51200826 -0.43540993
|
||||
5*0.0 0.04525784 -0.19415332 0.0 0.41713048 0.37416385 5*0.0 -0.20339956 0.34881929 0.0 -0.50630225 -0.42680169
|
||||
5*0.0 0.07201739 -0.18441982 0.0 0.41625234 0.36954315 5*0.0 -0.23907767 0.32687971 0.0 -0.49833445 -0.41728758
|
||||
5*0.0 0.09546083 -0.17447793 0.0 0.41256882 0.36334379 5*0.0 -0.27021797 0.30532744 0.0 -0.48819529 -0.40691003
|
||||
5*0.0 0.11571024 -0.16446638 0.0 0.40635358 0.35575620 5*0.0 -0.29672210 0.28428511 0.0 -0.47602302 -0.39572887
|
||||
5*0.0 0.13292611 -0.15449983 0.0 0.39789702 0.34696955 5*0.0 -0.31859268 0.26386007 0.0 -0.46199494 -0.38381778
|
||||
5*0.0 0.14728962 -0.14467191 0.0 0.38749239 0.33716562 5*0.0 -0.33592141 0.24414375 0.0 -0.44631815 -0.37126096
|
||||
5*0.0 0.15899134 -0.13505817 0.0 0.37542703 0.32651545 5*0.0 -0.34887597 0.22521155 0.0 -0.42922045 -0.35815004
|
||||
5*0.0 0.16822444 -0.12571867 0.0 0.36197705 0.31517778 5*0.0 -0.35768652 0.20712320 0.0 -0.41094181 -0.34458130
|
||||
5*0.0 0.17518107 -0.11670040 0.0 0.34740425 0.30329870 5*0.0 -0.36263223 0.18992344 0.0 -0.39172648 -0.33065313
|
||||
5*0.0 0.18005054 -0.10803915 0.0 0.33195441 0.29101191 5*0.0 -0.36402851 0.17364298 0.0 -0.37181624 -0.31646387
|
||||
5*0.0 0.18301853 -0.09976131 0.0 0.31585629 0.27843932 5*0.0 -0.36221512 0.15829962 0.0 -0.35144467 -0.30210981
|
||||
5*0.0 0.18426667 -0.09188520 0.0 0.29932098 0.26569174 5*0.0 -0.35754542 0.14389954 0.0 -0.33083254 -0.28768366
|
||||
5*0.0 0.18397224 -0.08442234 0.0 0.28254156 0.25286953 5*0.0 -0.35037709 0.13043861 0.0 -0.31018433 -0.27327320
|
||||
5*0.0 0.18230775 -0.07737841 0.0 0.26569276 0.24006318 5*0.0 -0.34106406 0.11790379 0.0 -0.28968571 -0.25896027
|
||||
5*0.0 0.17944028 -0.07075415 0.0 0.24893091 0.22735375 5*0.0 -0.32994993 0.10627438 0.0 -0.26950198 -0.24481994
|
||||
5*0.0 0.17553078 -0.06454615 0.0 0.23239389 0.21481329 5*0.0 -0.31736269 0.09552337 0.0 -0.24977729 -0.23092006
|
||||
5*0.0 0.17073316 -0.05874747 0.0 0.21620144 0.20250514 5*0.0 -0.30361065 0.08561862 0.0 -0.23063455 -0.21732091
|
||||
5*0.0 0.16519350 -0.05334826 0.0 0.20045553 0.19048431 5*0.0 -0.28897953 0.07652396 0.0 -0.21217586 -0.20407507
|
||||
5*0.0 0.15904916 -0.04833630 0.0 0.18524104 0.17879776 5*0.0 -0.27373049 0.06820023 0.0 -0.19448338 -0.19122747
|
||||
5*0.0 0.15242811 -0.04369744 0.0 0.17062663 0.16748481 5*0.0 -0.25809911 0.06060619 0.0 -0.17762058 -0.17881562
|
||||
5*0.0 0.14544841 -0.03941609 0.0 0.15666570 0.15657747 5*0.0 -0.24229500 0.05369931 0.0 -0.16163362 -0.16686984
|
||||
5*0.0 0.13821776 -0.03547553 0.0 0.14339763 0.14610093 5*0.0 -0.22650208 0.04743649 0.0 -0.14655298 -0.15541368
|
||||
5*0.0 0.13083337 -0.03185829 0.0 0.13084900 0.13607401 5*0.0 -0.21087931 0.04177464 0.0 -0.13239511 -0.14446435
|
||||
5*0.0 0.12338197 -0.02854645 0.0 0.11903495 0.12650968 5*0.0 -0.19556187 0.03667120 0.0 -0.11916408 -0.13403326
|
||||
5*0.0 0.11593991 -0.02552189 0.0 0.10796050 0.11741557 5*0.0 -0.18066247 0.03208458 0.0 -0.10685331 -0.12412649
|
||||
5*0.0 0.10857354 -0.02276649 0.0 0.09762195 0.10879456 5*0.0 -0.16627305 0.02797445 0.0 -0.09544709 -0.11474536
|
||||
5*0.0 0.10133963 -0.02026238 0.0 0.08800812 0.10064528 5*0.0 -0.15246644 0.02430204 0.0 -0.08492216 -0.10588695
|
||||
5*0.0 0.09428593 -0.01799202 0.0 0.07910163 0.09296265 5*0.0 -0.13929818 0.02103032 0.0 -0.07524905 -0.09754466
|
||||
5*0.0 0.08745175 -0.01593842 0.0 0.07088004 0.08573844 5*0.0 -0.12680833 0.01812418 0.0 -0.06639343 -0.08970870
|
||||
5*0.0 0.08086868 -0.01408515 0.0 0.06331688 0.07896175 5*0.0 -0.11502323 0.01555047 0.0 -0.05831724 -0.08236656
|
||||
5*0.0 0.07456122 -0.01241649 0.0 0.05638268 0.07261946 5*0.0 -0.10395723 0.01327809 0.0 -0.05097974 -0.07550349
|
||||
5*0.0 0.06854757 -0.01091745 0.0 0.05004575 0.06669668 5*0.0 -0.09361433 0.01127803 0.0 -0.04433843 -0.06910296
|
||||
5*0.0 0.06284026 -0.00957385 0.0 0.04427296 0.06117713 5*0.0 -0.08398971 0.00952328 0.0 -0.03834984 -0.06314695
|
||||
5*0.0 0.05744684 -0.00837228 0.0 0.03903038 0.05604353 5*0.0 -0.07507118 0.00798887 0.0 -0.03297024 -0.05761641
|
||||
5*0.0 0.05237054 -0.00730017 0.0 0.03428383 0.05127786 5*0.0 -0.06684046 0.00665178 0.0 -0.02815615 -0.05249151
|
||||
5*0.0 0.04761088 -0.00634576 0.0 0.02999935 0.04686169 5*0.0 -0.05927438 0.00549087 0.0 -0.02386492 -0.04775196
|
||||
5*0.0 0.04316424 -0.00549810 0.0 0.02614357 0.04277640 5*0.0 -0.05234594 0.00448679 0.0 -0.02005502 -0.04337725
|
||||
5*0.0 0.03902435 -0.00474701 0.0 0.02268400 0.03900340 5*0.0 -0.04602528 0.00362190 0.0 -0.01668643 -0.03934684
|
||||
5*0.0 0.03518283 -0.00408311 0.0 0.01958931 0.03552428 5*0.0 -0.04028047 0.00288018 0.0 -0.01372082 -0.03564038
|
||||
5*0.0 0.03162953 -0.00349770 0.0 0.01682948 0.03232097 5*0.0 -0.03507828 0.00224712 0.0 -0.01112176 -0.03223786
|
||||
5*0.0 0.02835300 -0.00298284 0.0 0.01437594 0.02937587 5*0.0 -0.03038476 0.00170962 0.0 -0.00885485 -0.02911973
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9*0.0 -0.00000002 5*0.0 -0.00000009 0.00000001 0.0 -0.00000004 0.00000003
|
||||
5*0.0 0.00000001 3*0.0 -0.00000002 5*0.0 -0.00000009 0.00000001 0.0 -0.00000003 0.00000003
|
||||
5*0.0 0.00000001 3*0.0 -0.00000001 5*0.0 -0.00000008 2*0.0 -0.00000003 0.00000003
|
||||
5*0.0 0.00000001 3*0.0 -0.00000001 5*0.0 -0.00000007 2*0.0 -0.00000003 0.00000002
|
||||
5*0.0 0.00000001 3*0.0 -0.00000001 5*0.0 -0.00000007 2*0.0 -0.00000003 0.00000002
|
||||
5*0.0 0.00000001 3*0.0 -0.00000001 5*0.0 -0.00000006 2*0.0 -0.00000002 0.00000002
|
||||
5*0.0 0.00000001 3*0.0 -0.00000001 5*0.0 -0.00000006 2*0.0 -0.00000002 0.00000002
|
||||
5*0.0 0.00000001 3*0.0 -0.00000001 5*0.0 -0.00000005 2*0.0 -0.00000002 0.00000002
|
||||
501
tests/DFTB/nonscc/cn
Normal file
501
tests/DFTB/nonscc/cn
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500
|
||||
0.0 0.094775 -0.103204 +0.029460 +0.023871 4*0.0 3.78 3.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -1.147968910330e+00 -1.621708598130e+00 0.0 5.185386960040e-01 -1.319704502880e+00 5*0.0 8.128177338400e-01 9.302174284960e-01 0.0 8.853249223020e-02 9.010111148240e-01
|
||||
5*0.0 -1.092552141670e+00 -1.597829629720e+00 0.0 4.995635356560e-01 -1.267536809440e+00 5*0.0 7.962689130500e-01 9.242349418790e-01 0.0 9.536647416490e-02 8.951545758290e-01
|
||||
5*0.0 -1.037341341870e+00 -1.573606594760e+00 0.0 4.784392196880e-01 -1.219962693950e+00 5*0.0 7.792346256070e-01 9.180329352540e-01 0.0 1.024016433020e-01 8.893116108300e-01
|
||||
5*0.0 -9.824921286710e-01 -1.549096765640e+00 0.0 4.554462344560e-01 -1.176725048120e+00 5*0.0 7.617490842650e-01 9.116196789400e-01 0.0 1.096247089720e-01 8.834922301860e-01
|
||||
5*0.0 -9.281449765670e-01 -1.524354035560e+00 0.0 4.308480101270e-01 -1.137558523050e+00 5*0.0 7.438462418560e-01 9.050034853200e-01 0.0 1.170215882900e-01 8.777045070920e-01
|
||||
5*0.0 -8.744260646510e-01 -1.499429005050e+00 0.0 4.048908778050e-01 -1.102194736900e+00 5*0.0 7.255597004570e-01 8.981926881790e-01 0.0 1.245775551460e-01 8.719547477740e-01
|
||||
5*0.0 -8.214481311360e-01 -1.474369081430e+00 0.0 3.778042712610e-01 -1.070366381800e+00 5*0.0 7.069226296300e-01 8.911956235030e-01 0.0 1.322773791040e-01 8.662476579310e-01
|
||||
5*0.0 -7.693113082980e-01 -1.449218588460e+00 0.0 3.498011082730e-01 -1.041810421530e+00 5*0.0 6.879676932770e-01 8.840206116630e-01 0.0 1.401054541580e-01 8.605865036410e-01
|
||||
5*0.0 -7.181039381970e-01 -1.424018881200e+00 0.0 3.210782973210e-01 -1.016270541460e+00 5*0.0 6.687269845370e-01 8.766759409700e-01 0.0 1.480459174660e-01 8.549732654460e-01
|
||||
5*0.0 -6.679033600480e-01 -1.398808464680e+00 0.0 2.918173307460e-01 -9.934989918610e-01 5*0.0 6.492319683140e-01 8.691698524960e-01 0.0 1.560827581950e-01 8.494087849900e-01
|
||||
5*0.0 -6.187766643430e-01 -1.373623115340e+00 0.0 2.621849323540e-01 -9.732579322830e-01 5*0.0 6.295134308770e-01 8.615105261580e-01 0.0 1.641999167540e-01 8.438929033130e-01
|
||||
5*0.0 -5.707814177970e-01 -1.348496001710e+00 0.0 2.323337365710e-01 -9.553203756570e-01 5*0.0 6.096014360860e-01 8.537060679610e-01 0.0 1.723813747400e-01 8.384245906930e-01
|
||||
5*0.0 -5.239663513860e-01 -1.323457805600e+00 0.0 2.024029824240e-01 -9.394708090660e-01 5*0.0 5.895252877630e-01 8.457644983710e-01 0.0 1.806112359440e-01 8.330020677500e-01
|
||||
5*0.0 -4.783720173750e-01 -1.298536840920e+00 0.0 1.725192095180e-01 -9.255055527450e-01 5*0.0 5.693134978020e-01 8.376937417500e-01 0.0 1.888737988460e-01 8.276229178130e-01
|
||||
5*0.0 -4.340314131700e-01 -1.273759170610e+00 0.0 1.427969482850e-01 -9.132329148120e-01 5*0.0 5.489937593230e-01 8.295016167700e-01 0.0 1.971536210480e-01 8.222841908280e-01
|
||||
5*0.0 -3.909705724490e-01 -1.249148721040e+00 0.0 1.133393984250e-01 -9.024731779470e-01 5*0.0 5.285929250930e-01 8.211958278290e-01 0.0 2.054355760370e-01 8.169824985050e-01
|
||||
5*0.0 -3.492091270640e-01 -1.224727392870e+00 0.0 8.423909108480e-02 -8.930584596970e-01 5*0.0 5.081369899980e-01 8.127839573080e-01 0.0 2.137049028370e-01 8.117141015970e-01
|
||||
5*0.0 -3.087608374270e-01 -1.200515169430e+00 0.0 5.557853375830e-02 -8.848324699550e-01 5*0.0 4.876510777720e-01 8.042734586870e-01 0.0 2.219472489430e-01 8.064749892130e-01
|
||||
5*0.0 -2.696340966310e-01 -1.176530220770e+00 0.0 2.743083468400e-02 -8.776501916040e-01 5*0.0 4.671594314270e-01 7.956716504510e-01 0.0 2.301487070370e-01 8.012609506130e-01
|
||||
5*0.0 -2.318324041860e-01 -1.152789004960e+00 0.0 -1.396927511390e-04 -8.713775017910e-01 5*0.0 4.466854070720e-01 7.869857107230e-01 0.0 2.382958459550e-01 7.960676398930e-01
|
||||
5*0.0 -1.953548150490e-01 -1.129306365430e+00 0.0 -2.707694669820e-02 -8.658907500970e-01 5*0.0 4.262514708080e-01 7.782226725970e-01 0.0 2.463757363330e-01 7.908906339340e-01
|
||||
5*0.0 -1.601963652500e-01 -1.106095623890e+00 0.0 -5.333247564290e-02 -8.610763058660e-01 5*0.0 4.058791984140e-01 7.693894201050e-01 0.0 2.543759713810e-01 7.857254840280e-01
|
||||
5*0.0 -1.263484655070e-01 -1.083168671860e+00 0.0 -7.886493659250e-02 -8.568300844650e-01 5*0.0 3.855892775530e-01 7.604926847860e-01 0.0 2.622846832170e-01 7.805677615690e-01
|
||||
5*0.0 -9.379927668940e-02 -1.060536056670e+00 0.0 -1.036395760490e-01 -8.530570611460e-01 5*0.0 3.654015122400e-01 7.515390428140e-01 0.0 2.700905551220e-01 7.754130982290e-01
|
||||
5*0.0 -6.253406369200e-02 -1.038207063730e+00 0.0 -1.276277329830e-01 -8.496707804430e-01 5*0.0 3.453348293390e-01 7.425349126350e-01 0.0 2.777828301570e-01 7.702572210040e-01
|
||||
5*0.0 -3.253552454570e-02 -1.016189795960e+00 0.0 -1.508063629030e-01 -8.465928648800e-01 5*0.0 3.254072868830e-01 7.334865530970e-01 0.0 2.853513164450e-01 7.650959825190e-01
|
||||
5*0.0 -3.784090418120e-03 -9.944912516310e-01 0.0 -1.731575806870e-01 -8.437525274170e-01 5*0.0 3.056360839930e-01 7.244000620070e-01 0.0 2.927863894990e-01 7.599253869540e-01
|
||||
5*0.0 2.374177936270e-02 -9.731173945000e-01 0.0 -1.946682291260e-01 -8.410860939780e-01 5*0.0 2.860375722340e-01 7.152813751140e-01 0.0 3.000789918810e-01 7.547416119730e-01
|
||||
5*0.0 5.006533773340e-02 -9.520732250620e-01 0.0 -2.153294653520e-01 -8.385365353970e-01 5*0.0 2.666272682330e-01 7.061362654550e-01 0.0 3.072206305130e-01 7.495410269630e-01
|
||||
5*0.0 7.521129891210e-02 -9.313628451970e-01 0.0 -2.351363700920e-01 -8.360530142600e-01 5*0.0 2.474198673840e-01 6.969703430640e-01 0.0 3.142033719060e-01 7.443202079340e-01
|
||||
5*0.0 9.920561274960e-02 -9.109895218730e-01 0.0 -2.540875777900e-01 -8.335904461000e-01 5*0.0 2.284292585330e-01 6.877890549880e-01 0.0 3.210198355400e-01 7.390759493780e-01
|
||||
5*0.0 1.220752546270e-01 -8.909557467870e-01 0.0 -2.721849258920e-01 -8.311090775200e-01 5*0.0 2.096685394720e-01 6.785976856030e-01 0.0 3.276631856750e-01 7.338052733710e-01
|
||||
5*0.0 1.438480298370e-01 -8.712632926650e-01 0.0 -2.894331279900e-01 -8.285740826990e-01 5*0.0 1.911500331520e-01 6.694013571990e-01 0.0 3.341271217510e-01 7.285054362020e-01
|
||||
5*0.0 1.645523984050e-01 -8.519132673430e-01 0.0 -3.058394635620e-01 -8.259551775240e-01 5*0.0 1.728853044950e-01 6.602050308080e-01 0.0 3.404058676090e-01 7.231739327650e-01
|
||||
5*0.0 1.842173133040e-01 -8.329061649790e-01 0.0 -3.214134895870e-01 -8.232262532370e-01 5*0.0 1.548851776990e-01 6.510135072590e-01 0.0 3.464941597100e-01 7.178084989690e-01
|
||||
5*0.0 2.028720725220e-01 -8.142419138410e-01 0.0 -3.361667713380e-01 -8.203650289770e-01 5*0.0 1.371597539650e-01 6.418314284320e-01 0.0 3.523872344840e-01 7.124071123730e-01
|
||||
5*0.0 2.205461869590e-01 -7.959199222130e-01 0.0 -3.501126307720e-01 -8.173527237080e-01 5*0.0 1.197184295380e-01 6.326632787020e-01 0.0 3.580808149960e-01 7.069679912570e-01
|
||||
5*0.0 2.372692590360e-01 -7.779391210400e-01 0.0 -3.632659144810e-01 -8.141737469930e-01 5*0.0 1.025699140140e-01 6.235133865480e-01 0.0 3.635710970200e-01 7.014895923090e-01
|
||||
5*0.0 2.530708758470e-01 -7.602980048210e-01 0.0 -3.756427782710e-01 -8.108154086920e-01 5*0.0 8.572224882740e-02 6.143859263110e-01 0.0 3.688547346710e-01 6.959706071180e-01
|
||||
5*0.0 2.679805104480e-01 -7.429946691040e-01 0.0 -3.872604895630e-01 -8.072676472010e-01 5*0.0 6.918282586550e-02 6.052849200900e-01 0.0 3.739288256840e-01 6.904099576030e-01
|
||||
5*0.0 2.820274390160e-01 -7.260268470680e-01 0.0 -3.981372440600e-01 -8.035227749140e-01 5*0.0 5.295840615690e-02 5.962142397600e-01 0.0 3.787908964320e-01 6.848067905620e-01
|
||||
5*0.0 2.952406618920e-01 -7.093919425380e-01 0.0 -4.082920005190e-01 -7.995752420310e-01 5*0.0 3.705513858450e-02 5.871776090970e-01 0.0 3.834388867750e-01 6.791604714350e-01
|
||||
5*0.0 3.076488393530e-01 -6.930870619860e-01 0.0 -4.177443273590e-01 -7.954214161360e-01 5*0.0 2.147857857170e-02 5.781786059950e-01 0.0 3.878711348130e-01 6.734705774290e-01
|
||||
5*0.0 3.192802307440e-01 -6.771090435020e-01 0.0 -4.265142656720e-01 -7.910593784380e-01 5*0.0 6.233706715250e-03 5.692206647770e-01 0.0 3.920863616060e-01 6.677368901130e-01
|
||||
5*0.0 3.301626463470e-01 -6.614544849150e-01 0.0 -4.346222033070e-01 -7.864887349600e-01 5*0.0 -8.675052681090e-03 5.603070785720e-01 0.0 3.960836559150e-01 6.619593875610e-01
|
||||
5*0.0 3.403234027720e-01 -6.461197691960e-01 0.0 -4.420887624650e-01 -7.817104423490e-01 5*0.0 -2.324381319790e-02 5.514410017590e-01 0.0 3.998624590050e-01 6.561382361610e-01
|
||||
5*0.0 3.497892866510e-01 -6.311010885770e-01 0.0 -4.489346983550e-01 -7.767266479710e-01 5*0.0 -3.746920804510e-02 5.426254524700e-01 0.0 4.034225495960e-01 6.502737821550e-01
|
||||
5*0.0 3.585865248260e-01 -6.163944670930e-01 0.0 -4.551808085240e-01 -7.715405422000e-01 5*0.0 -5.134837198750e-02 5.338633151330e-01 0.0 4.067640289440e-01 6.443665429740e-01
|
||||
5*0.0 3.667407585740e-01 -6.019957812320e-01 0.0 -4.608478525290e-01 -7.661562238630e-01 5*0.0 -6.487892346880e-02 5.251573430640e-01 0.0 4.098873061080e-01 6.384171984690e-01
|
||||
5*0.0 3.742770234180e-01 -5.879007791970e-01 0.0 -4.659564806950e-01 -7.605785768650e-01 5*0.0 -7.805894695670e-02 5.165101610820e-01 0.0 4.127930834540e-01 6.324265820440e-01
|
||||
5*0.0 3.812197336660e-01 -5.741050988830e-01 0.0 -4.705271714980e-01 -7.548131578060e-01 5*0.0 -9.088697552350e-02 5.079242681550e-01 0.0 4.154823423770e-01 6.263956717900e-01
|
||||
5*0.0 3.875926715140e-01 -5.606042847380e-01 0.0 -4.745801766440e-01 -7.488660938250e-01 5*0.0 -1.033619736770e-01 4.994020400700e-01 0.0 4.179563292890e-01 6.203255816140e-01
|
||||
5*0.0 3.934189785570e-01 -5.473938026200e-01 0.0 -4.781354738300e-01 -7.427439892380e-01 5*0.0 -1.154833204590e-01 4.909457321080e-01 0.0 4.202165418750e-01 6.142175525170e-01
|
||||
5*0.0 3.987211506780e-01 -5.344690543210e-01 0.0 -4.812127258120e-01 -7.364538422000e-01 5*0.0 -1.272507928130e-01 4.825574817330e-01 0.0 4.222647156630e-01 6.080729438240e-01
|
||||
5*0.0 4.035210373720e-01 -5.218253906340e-01 0.0 -4.838312455560e-01 -7.300029688240e-01 5*0.0 -1.386645492330e-01 4.742393112900e-01 0.0 4.241028108630e-01 6.018932246850e-01
|
||||
5*0.0 4.078398415880e-01 -5.094581232420e-01 0.0 -4.860099670370e-01 -7.233989342380e-01 5*0.0 -1.497251137230e-01 4.659931307000e-01 0.0 4.257329995310e-01 5.956799656580e-01
|
||||
5*0.0 4.116981230250e-01 -4.973625358110e-01 0.0 -4.877674209680e-01 -7.166494919470e-01 5*0.0 -1.604333600240e-01 4.578207401470e-01 0.0 4.271576530460e-01 5.894348304960e-01
|
||||
5*0.0 4.151158033830e-01 -4.855338942410e-01 0.0 -4.891217148890e-01 -7.097625286190e-01 5*0.0 -1.707904961720e-01 4.497238327630e-01 0.0 4.283793299060e-01 5.831595681130e-01
|
||||
5*0.0 4.181121723610e-01 -4.739674556900e-01 0.0 -4.900905174630e-01 -7.027460151960e-01 5*0.0 -1.807980493560e-01 4.417039973060e-01 0.0 4.294007638510e-01 5.768560047770e-01
|
||||
5*0.0 4.207058962120e-01 -4.626584774430e-01 0.0 -4.906910467190e-01 -6.956079634910e-01 5*0.0 -1.904578510800e-01 4.337627208150e-01 0.0 4.302248523170e-01 5.705260365220e-01
|
||||
5*0.0 4.229150273440e-01 -4.516022243310e-01 0.0 -4.909400603760e-01 -6.883563874090e-01 5*0.0 -1.997720226490e-01 4.259013912600e-01 0.0 4.308546452050e-01 5.641716217940e-01
|
||||
5*0.0 4.247570136110e-01 -4.407939757890e-01 0.0 -4.908538507200e-01 -6.809992690680e-01 5*0.0 -2.087429609660e-01 4.181213001610e-01 0.0 4.312933339910e-01 5.577947743430e-01
|
||||
5*0.0 4.262487113560e-01 -4.302290325910e-01 0.0 -4.904482403510e-01 -6.735445288640e-01 5*0.0 -2.173733246630e-01 4.104236452010e-01 0.0 4.315442411630e-01 5.513975563680e-01
|
||||
5*0.0 4.274063961710e-01 -4.199027222740e-01 0.0 -4.897385814220e-01 -6.659999993490e-01 5*0.0 -2.256660205130e-01 4.028095327990e-01 0.0 4.316108099750e-01 5.449820719120e-01
|
||||
5*0.0 4.282457759090e-01 -4.098104044860e-01 0.0 -4.887397561800e-01 -6.583734026270e-01 5*0.0 -2.336241902120e-01 3.952799806740e-01 0.0 4.314965945350e-01 5.385504605090e-01
|
||||
5*0.0 4.287820038400e-01 -3.999474757940e-01 0.0 -4.874661794250e-01 -6.506723306600e-01 5*0.0 -2.412511974350e-01 3.878359203730e-01 0.0 4.312052502100e-01 5.321048911070e-01
|
||||
5*0.0 4.290296920540e-01 -3.903093737530e-01 0.0 -4.859318023650e-01 -6.429042286760e-01 5*0.0 -2.485506152380e-01 3.804781997730e-01 0.0 4.307405243540e-01 5.256475562320e-01
|
||||
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5*0.0 3.896191455470e-02 -5.910490519210e-03 0.0 -2.858451625930e-02 -1.981805265010e-02 5*0.0 -3.799130414990e-02 4.811019123770e-03 0.0 2.324239891950e-02 1.354211426200e-02
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5*0.0 3.288503953700e-02 -4.726916964340e-03 0.0 -2.363669859520e-02 -1.601480087820e-02 5*0.0 -3.091188312420e-02 3.701131747910e-03 0.0 1.858339939630e-02 1.067838381070e-02
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5*0.0 3.130055733140e-02 -4.431219658320e-03 0.0 -2.236730032860e-02 -1.505660527470e-02 5*0.0 -2.910166349210e-02 3.430445836830e-03 0.0 1.741090027670e-02 9.968667359980e-03
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5*0.0 3.053237454460e-02 -4.289834195910e-03 0.0 -2.175512511140e-02 -1.459723611240e-02 5*0.0 -2.822994319630e-02 3.302068148660e-03 0.0 1.684919306450e-02 9.630318812500e-03
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5*0.0 2.977990697890e-02 -4.152604412520e-03 0.0 -2.115757539340e-02 -1.415059564220e-02 5*0.0 -2.737994934020e-02 3.178142967570e-03 0.0 1.630335987500e-02 9.302581145690e-03
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5*0.0 2.904291410060e-02 -4.019418952620e-03 0.0 -2.057436344630e-02 -1.371637401630e-02 5*0.0 -2.655128473450e-02 3.058531860160e-03 0.0 1.577304153660e-02 8.985165553410e-03
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5*0.0 2.832115713490e-02 -3.890169173570e-03 0.0 -2.000520558020e-02 -1.329426761210e-02 5*0.0 -2.574355462300e-02 2.943100147310e-03 0.0 1.525788410870e-02 8.677789437150e-03
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5*0.0 2.761439908000e-02 -3.764749066030e-03 0.0 -1.944982210780e-02 -1.288397899330e-02 5*0.0 -2.495636686460e-02 2.831716819270e-03 0.0 1.475753890390e-02 8.380176328800e-03
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5*0.0 2.692240480040e-02 -3.643055222140e-03 0.0 -1.890793736020e-02 -1.248521678870e-02 5*0.0 -2.418933211550e-02 2.724254454380e-03 0.0 1.427166250440e-02 8.092055813150e-03
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5*0.0 2.624494100820e-02 -3.524986758930e-03 0.0 -1.837927970810e-02 -1.209769558930e-02 5*0.0 -2.344206398770e-02 2.620589136780e-03 0.0 1.379991678210e-02 7.813163448450e-03
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5*0.0 2.558177626580e-02 -3.410445262340e-03 0.0 -1.786358139160e-02 -1.172113593690e-02 5*0.0 -2.271417921340e-02 2.520600376810e-03 0.0 1.334196890420e-02 7.543240685320e-03
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5*0.0 2.493268115150e-02 -3.299334757460e-03 0.0 -1.736057875490e-02 -1.135526410990e-02 5*0.0 -2.200529778500e-02 2.424171031800e-03 0.0 1.289749134520e-02 7.282034787950e-03
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5*0.0 2.429742806550e-02 -3.191561606630e-03 0.0 -1.687001195480e-02 -1.099981217260e-02 5*0.0 -2.131504309840e-02 2.331187229380e-03 0.0 1.246616188100e-02 7.029298750430e-03
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5*0.0 2.367579145370e-02 -3.087034511130e-03 0.0 -1.639162512260e-02 -1.065451777920e-02 5*0.0 -2.064304208540e-02 2.241538290300e-03 0.0 1.204766358950e-02 6.784791214780e-03
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5*0.0 2.306754767720e-02 -2.985664405000e-03 0.0 -1.592516628630e-02 -1.031912415070e-02 5*0.0 -1.998892532790e-02 2.155116654500e-03 0.0 1.164168484780e-02 6.548276388460e-03
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5*0.0 2.247247517390e-02 -2.887364450220e-03 0.0 -1.547038734290e-02 -9.993379961140e-03 5*0.0 -1.935232717760e-02 2.071817806490e-03 0.0 1.124791932080e-02 6.319523960730e-03
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5*0.0 2.189035436900e-02 -2.792049968690e-03 0.0 -1.502704399680e-02 -9.677039261490e-03 5*0.0 -1.873288585730e-02 1.991540203730e-03 0.0 1.086606594080e-02 6.098309019390e-03
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5*0.0 2.132096774900e-02 -2.699638381470e-03 0.0 -1.459489584740e-02 -9.369861380710e-03 5*0.0 -1.813024356270e-02 1.914185204560e-03 0.0 1.049582890100e-02 5.884411964290e-03
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5*0.0 2.076409988010e-02 -2.610049185470e-03 0.0 -1.417370624410e-02 -9.071610857320e-03 5*0.0 -1.754404654700e-02 1.839656999050e-03 0.0 1.013691762930e-02 5.677618427160e-03
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5*0.0 2.021953736260e-02 -2.523203879260e-03 0.0 -1.376324228560e-02 -8.782057352540e-03 5*0.0 -1.697394521140e-02 1.767862540230e-03 0.0 9.789046766560e-03 5.477719182790e-03
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5*0.0 1.968706896230e-02 -2.439025946240e-03 0.0 -1.336327486540e-02 -8.500975547480e-03 5*0.0 -1.641959417720e-02 1.698711476820e-03 0.0 9.451936141150e-03 5.284510067380e-03
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5*0.0 1.916648551580e-02 -2.357440787690e-03 0.0 -1.297357854260e-02 -8.228145082710e-03 5*0.0 -1.588065235440e-02 1.632116085920e-03 0.0 9.125310740800e-03 5.097791892610e-03
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5*0.0 1.865758004120e-02 -2.278375698910e-03 0.0 -1.259393159340e-02 -7.963350459980e-03 5*0.0 -1.535678300890e-02 1.567991209840e-03 0.0 8.808900679310e-03 4.917370361760e-03
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5*0.0 1.816014765250e-02 -2.201759805750e-03 0.0 -1.222411590790e-02 -7.706380976120e-03 5*0.0 -1.484765381800e-02 1.506254191350e-03 0.0 8.502441165270e-03 4.743055985100e-03
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5*0.0 1.767398563740e-02 -2.127524026160e-03 0.0 -1.186391704840e-02 -7.457030611830e-03 5*0.0 -1.435293691870e-02 1.446824810820e-03 0.0 8.205672463440e-03 4.574663995770e-03
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5*0.0 1.719889348320e-02 -2.055601051600e-03 0.0 -1.151312413980e-02 -7.215097977860e-03 5*0.0 -1.387230895860e-02 1.389625226240e-03 0.0 7.918339858950e-03 4.412014265200e-03
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5*0.0 1.673467282150e-02 -1.985925277590e-03 0.0 -1.117152985110e-02 -6.980386238520e-03 5*0.0 -1.340545113040e-02 1.334579911550e-03 0.0 7.640193615330e-03 4.254931221310e-03
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5*0.0 1.628112749130e-02 -1.918432782500e-03 0.0 -1.083893040940e-02 -6.752702996850e-03 5*0.0 -1.295204920910e-02 1.281615598560e-03 0.0 7.370988933810e-03 4.103243762790e-03
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5*0.0 1.583806354030e-02 -1.853061281290e-03 0.0 -1.051512552080e-02 -6.531860254850e-03 5*0.0 -1.251179358310e-02 1.230661219610e-03 0.0 7.110485906770e-03 3.956785178240e-03
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5*0.0 1.540528921290e-02 -1.789750094500e-03 0.0 -1.019991834700e-02 -6.317674315270e-03 5*0.0 -1.208437927280e-02 1.181647849580e-03 0.0 6.858449474680e-03 3.815393062900e-03
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5*0.0 1.498261495550e-02 -1.728440096400e-03 0.0 -9.893115480350e-03 -6.109965705700e-03 5*0.0 -1.166950595590e-02 1.134508651720e-03 0.0 6.614649376180e-03 3.678909236590e-03
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5*0.0 1.456985349360e-02 -1.669073709030e-03 0.0 -9.594526934460e-03 -5.908559092610e-03 5*0.0 -1.126687798160e-02 1.089178823100e-03 0.0 6.378860102880e-03 3.547179663160e-03
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5*0.0 1.416681971610e-02 -1.611594828280e-03 0.0 -9.303966034880e-03 -5.713283241450e-03 5*0.0 -1.087620438000e-02 1.045595540710e-03 0.0 6.150860845590e-03 3.420054368490e-03
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5*0.0 1.377333079280e-02 -1.555948822520e-03 0.0 -9.021249462010e-03 -5.523970893260e-03 5*0.0 -1.049719886870e-02 1.003697909870e-03 0.0 5.930435441600e-03 3.297387361330e-03
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5*0.0 1.338920608110e-02 -1.502082472710e-03 0.0 -8.746197162570e-03 -5.340458733270e-03 5*0.0 -1.012957985640e-02 9.634269134440e-04 0.0 5.717372327200e-03 3.179036553470e-03
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5*0.0 1.301426721290e-02 -1.449943957490e-03 0.0 -8.478632345580e-03 -5.162587288460e-03 5*0.0 -9.773070440980e-03 9.247253614000e-04 0.0 5.511464480450e-03 3.064863681240e-03
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5*0.0 1.264833805860e-02 -1.399482817090e-03 0.0 -8.218381454040e-03 -4.990200860480e-03 5*0.0 -9.427398407840e-03 8.875378424680e-04 0.0 5.312509366250e-03 2.954734226160e-03
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5*0.0 1.229124470530e-02 -1.350649911250e-03 0.0 -7.965274080390e-03 -4.823147468760e-03 5*0.0 -9.092296214940e-03 8.518106756370e-04 0.0 5.120308880980e-03 2.848517339690e-03
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5*0.0 1.194281551200e-02 -1.303397401850e-03 0.0 -7.719142987360e-03 -4.661278760890e-03 5*0.0 -8.767500988980e-03 8.174918642360e-04 0.0 4.934669296310e-03 2.746085764590e-03
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5*0.0 1.160288106610e-02 -1.257678714400e-03 0.0 -7.479824024390e-03 -4.504449957990e-03 5*0.0 -8.452754508100e-03 7.845310501990e-04 0.0 4.755401203490e-03 2.647315760580e-03
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5*0.0 1.127127418250e-02 -1.213448507940e-03 0.0 -7.247156142470e-03 -4.352519768330e-03 5*0.0 -8.147803178980e-03 7.528794679880e-04 0.0 4.582319450490e-03 2.552087028600e-03
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5*0.0 1.094782991930e-02 -1.170662648400e-03 0.0 -7.020981277410e-03 -4.205350345330e-03 5*0.0 -7.852398026000e-03 7.224899027960e-04 0.0 4.415243087830e-03 2.460282636910e-03
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5*0.0 1.063238559040e-02 -1.129278184910e-03 0.0 -6.801144417490e-03 -4.062807188650e-03 5*0.0 -7.566294657910e-03 6.933166462280e-04 0.0 4.253995310030e-03 2.371788948430e-03
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5*0.0 1.032478070450e-02 -1.089253306060e-03 0.0 -6.587493467310e-03 -3.924759100500e-03 5*0.0 -7.289253249780e-03 6.653154553340e-04 0.0 4.098403391150e-03 2.286495547270e-03
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5*0.0 1.002485702460e-02 -1.050547331550e-03 0.0 -6.379879282500e-03 -3.791078111240e-03 5*0.0 -7.021038512790e-03 6.384435122060e-04 0.0 3.948298631880e-03 2.204295168380e-03
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5*0.0 9.732458512390e-03 -1.013120672160e-03 0.0 -6.178155595250e-03 -3.661639415120e-03 5*0.0 -6.761419661440e-03 6.126593829010e-04 0.0 3.803516291140e-03 2.125083626340e-03
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5*0.0 9.447431354150e-03 -9.769348081660e-04 0.0 -5.982178977010e-03 -3.536321311240e-03 5*0.0 -6.510170382020e-03 5.879229792970e-04 0.0 3.663895531870e-03 2.048759745990e-03
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5*0.0 9.169623965260e-03 -9.419522696190e-04 0.0 -5.791808840690e-03 -3.415005124130e-03 5*0.0 -6.267068799840e-03 5.641955209410e-04 0.0 3.529279358400e-03 1.975225294000e-03
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5*0.0 8.127636646760e-03 -8.133409378250e-04 0.0 -5.083677161600e-03 -2.967489130850e-03 5*0.0 -5.371855155790e-03 4.786432446370e-04 0.0 3.037851639440e-03 1.707116290870e-03
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5*0.0 6.549071770560e-03 -6.268171571640e-04 0.0 -4.030253387080e-03 -2.313573710760e-03 5*0.0 -4.071566970600e-03 3.598943729700e-04 0.0 2.337565536050e-03 1.325099958260e-03
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5*0.0 6.346867838510e-03 -6.036984387610e-04 0.0 -3.897166208410e-03 -2.232048099070e-03 5*0.0 -3.910491982470e-03 3.456772284450e-04 0.0 2.252073852360e-03 1.278357712680e-03
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5*0.0 6.150109477200e-03 -5.813800711480e-04 0.0 -3.768096566750e-03 -2.153231093370e-03 5*0.0 -3.755065360410e-03 3.320681335870e-04 0.0 2.169867700270e-03 1.233366083310e-03
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5*0.0 5.958674944820e-03 -5.598367801980e-04 0.0 -3.642939331360e-03 -2.077040426790e-03 5*0.0 -3.605122841380e-03 3.190430947530e-04 0.0 2.090837496680e-03 1.190061359080e-03
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|
||||
5*0.0 5.125212009300e-05 -4.660057825730e-06 0.0 -4.392841483240e-05 1.138006446820e-05 5*0.0 -1.618667357050e-04 9.802441804560e-06 0.0 7.831289002920e-05 -5.011498617490e-05
|
||||
5*0.0 5.085529409500e-05 -4.537882280870e-06 0.0 -4.274591446950e-05 1.187307689450e-05 5*0.0 -1.609556697740e-04 9.426968072020e-06 0.0 7.506920995550e-05 -5.086654781580e-05
|
||||
5*0.0 5.047629817250e-05 -4.417089490910e-06 0.0 -4.157277734940e-05 1.235066646060e-05 5*0.0 -1.600162253500e-04 9.055162266520e-06 0.0 7.184534727490e-05 -5.158825635100e-05
|
||||
5*0.0 5.011367258020e-05 -4.297633573890e-06 0.0 -4.040864856890e-05 1.281312746360e-05 5*0.0 -1.590489091460e-04 8.687061750230e-06 0.0 6.864199101300e-05 -5.228039397900e-05
|
||||
5*0.0 4.976603066270e-05 -4.179471564830e-06 0.0 -3.925320521010e-05 1.326074306400e-05 5*0.0 -1.580542480640e-04 8.322702501710e-06 0.0 6.545981752220e-05 -5.294324686440e-05
|
||||
5*0.0 4.943205039970e-05 -4.062564340400e-06 0.0 -3.810615095740e-05 1.369378609110e-05 5*0.0 -1.570327869350e-04 7.962118955420e-06 0.0 6.229948976840e-05 -5.357710514500e-05
|
||||
5*0.0 4.911048088220e-05 -3.946874664390e-06 0.0 -3.696721800840e-05 1.411251924680e-05 5*0.0 -1.559850873350e-04 7.605344091020e-06 0.0 5.916165749290e-05 -5.418226282360e-05
|
||||
5*0.0 4.880013000080e-05 -3.832369883030e-06 0.0 -3.583616726390e-05 1.451719644050e-05 5*0.0 -1.549117256460e-04 7.252409313540e-06 0.0 5.604695611130e-05 -5.475901780270e-05
|
||||
5*0.0 4.849986926470e-05 -3.719018676570e-06 0.0 -3.471278635480e-05 1.490806271310e-05 5*0.0 -1.538132920750e-04 6.903344562250e-06 0.0 5.295600669110e-05 -5.530767174690e-05
|
||||
5*0.0 4.820863488180e-05 -3.606793612620e-06 0.0 -3.359688606590e-05 1.528535479680e-05 5*0.0 -1.526903887930e-04 6.558178178840e-06 0.0 4.988941526930e-05 -5.582853006660e-05
|
||||
5*0.0 4.792540710960e-05 -3.495668332520e-06 0.0 -3.248829856290e-05 1.564930202420e-05 5*0.0 -1.515436290450e-04 6.216936998810e-06 0.0 4.684777309750e-05 -5.632190180440e-05
|
||||
5*0.0 4.764923482650e-05 -3.385620134890e-06 0.0 -3.138687934670e-05 1.600012642730e-05 5*0.0 -1.503736354550e-04 5.879646257880e-06 0.0 4.383165558460e-05 -5.678809959000e-05
|
||||
5*0.0 4.737920862090e-05 -3.276627849090e-06 0.0 -3.029250199720e-05 1.633804289590e-05 5*0.0 -1.491810392230e-04 5.546329678650e-06 0.0 4.084162253500e-05 -5.722743951530e-05
|
||||
5*0.0 4.711448218040e-05 -3.168672698010e-06 0.0 -2.920506728590e-05 1.666326090290e-05 5*0.0 -1.479664787050e-04 5.217009414530e-06 0.0 3.787821796990e-05 -5.764024105930e-05
|
||||
5*0.0 4.685424529260e-05 -3.061737206430e-06 0.0 -2.812448272400e-05 1.697598288020e-05 5*0.0 -1.467305979700e-04 4.891705991280e-06 0.0 3.494196937620e-05 -5.802682694050e-05
|
||||
5*0.0 4.659774341000e-05 -2.955806441930e-06 0.0 -2.705068072650e-05 1.727640614340e-05 5*0.0 -1.454740469120e-04 4.570438499050e-06 0.0 3.203338808100e-05 -5.838752307580e-05
|
||||
5*0.0 4.634426258210e-05 -2.850866886500e-06 0.0 -2.598360882040e-05 1.756472345950e-05 5*0.0 -1.441974787160e-04 4.253224377740e-06 0.0 2.915296890220e-05 -5.872265838530e-05
|
||||
5*0.0 4.609313069420e-05 -2.746906131210e-06 0.0 -2.492322646320e-05 1.784112152520e-05 5*0.0 -1.429015505980e-04 3.940079653360e-06 0.0 2.630119015200e-05 -5.903256474700e-05
|
||||
5*0.0 4.584372256700e-05 -2.643914047050e-06 0.0 -2.386951255320e-05 1.810578365540e-05 5*0.0 -1.415869208760e-04 3.631018670070e-06 0.0 2.347851305930e-05 -5.931757679730e-05
|
||||
5*0.0 4.559545140520e-05 -2.541881982140e-06 0.0 -2.282245254500e-05 1.835888817080e-05 5*0.0 -1.402542499900e-04 3.326054348650e-06 0.0 2.068538232060e-05 -5.957803187100e-05
|
||||
5*0.0 4.534776477990e-05 -2.440800837560e-06 0.0 -2.178205115630e-05 1.860060970410e-05 5*0.0 -1.389041990200e-04 3.025198150670e-06 0.0 1.792222569150e-05 -5.981426981570e-05
|
||||
5*0.0 4.510014690500e-05 -2.340664512960e-06 0.0 -2.074831850710e-05 1.883111928850e-05 5*0.0 -1.375374284270e-04 2.728459959240e-06 0.0 1.518945405610e-05 -6.002663289700e-05
|
||||
5*0.0 4.485212387240e-05 -2.241467904790e-06 0.0 -1.972128108160e-05 1.905058446770e-05 5*0.0 -1.361545980690e-04 2.435848250850e-06 0.0 1.248746121000e-05 -6.021546563590e-05
|
||||
5*0.0 4.460325044720e-05 -2.143205626670e-06 0.0 -1.870096942420e-05 1.925916959210e-05 5*0.0 -1.347563660530e-04 2.147370030050e-06 0.0 9.816624369170e-06 -6.038111466720e-05
|
||||
5*0.0 4.435311452790e-05 -2.045874974060e-06 0.0 -1.768742853980e-05 1.945703624920e-05 5*0.0 -1.333433883770e-04 1.863030891430e-06 0.0 7.177303591660e-06 -6.052392860890e-05
|
||||
5*0.0 4.410133056960e-05 -1.949472207510e-06 0.0 -1.668070772980e-05 1.964434300930e-05 5*0.0 -1.319163181650e-04 1.582835002790e-06 0.0 4.569842198110e-06 -6.064425792640e-05
|
||||
5*0.0 4.384754961560e-05 -1.853996178020e-06 0.0 -1.568086697390e-05 1.982124661380e-05 5*0.0 -1.304758048510e-04 1.306785121150e-06 0.0 1.994566719650e-06 -6.074245476700e-05
|
||||
5*0.0 4.359144679410e-05 -1.759444944790e-06 0.0 -1.468797370470e-05 1.998790050660e-05 5*0.0 -1.290224942090e-04 1.034882679850e-06 0.0 -5.482130384100e-07 -6.081887283570e-05
|
||||
5*0.0 4.333272295930e-05 -1.665818045350e-06 0.0 -1.370209660910e-05 2.014445604640e-05 5*0.0 -1.275570276100e-04 7.671277552960e-07 0.0 -3.058203738960e-06 -6.087386721970e-05
|
||||
5*0.0 4.307111023230e-05 -1.573115627730e-06 0.0 -1.272331516130e-05 2.029106368710e-05 5*0.0 -1.260800412120e-04 5.035190916050e-07 0.0 -5.535128816970e-06 -6.090779427660e-05
|
||||
5*0.0 4.280635973370e-05 -1.481338024680e-06 0.0 -1.175171362600e-05 2.042787110170e-05 5*0.0 -1.245921659510e-04 2.440541319350e-07 0.0 -7.978727864690e-06 -6.092101146630e-05
|
||||
5*0.0 4.253824556350e-05 -1.390485996410e-06 0.0 -1.078738040000e-05 2.055502457840e-05 5*0.0 -1.230940268170e-04 -1.127093845930e-08 0.0 -1.038875681290e-05 -6.091387720660e-05
|
||||
5*0.0 4.226657271940e-05 -1.300561884060e-06 0.0 -9.830407729540e-06 2.067266871680e-05 5*0.0 -1.215862429970e-04 -2.624611626590e-07 0.0 -1.276498770380e-05 -6.088675073650e-05
|
||||
5*0.0 4.199115430030e-05 -1.211566280230e-06 0.0 -8.880889263620e-06 2.078094663020e-05 5*0.0 -1.200694265990e-04 -5.095228508670e-07 0.0 -1.510720865260e-05 -6.083999195000e-05
|
||||
5*0.0 4.171183751620e-05 -1.123502225770e-06 0.0 -7.938929499240e-06 2.088000054950e-05 5*0.0 -1.185441833230e-04 -7.524634488060e-07 0.0 -1.741522339500e-05 -6.077396128110e-05
|
||||
5*0.0 4.142847759030e-05 -1.036371756090e-06 0.0 -7.004625454450e-06 2.096997115720e-05 5*0.0 -1.170111112170e-04 -9.912916463840e-07 0.0 -1.968885137110e-05 -6.068901953630e-05
|
||||
5*0.0 4.114095189310e-05 -9.501771953900e-07 0.0 -6.078084011700e-06 2.105099778210e-05 5*0.0 -1.154708012140e-04 -1.226017193600e-06 0.0 -2.192792756050e-05 -6.058552776120e-05
|
||||
5*0.0 4.084915878120e-05 -8.649219472170e-07 0.0 -5.159410739130e-06 2.112321935400e-05 5*0.0 -1.139238363670e-04 -1.456650998420e-06 0.0 -2.413230207000e-05 -6.046384709060e-05
|
||||
5*0.0 4.055300875550e-05 -7.806086344970e-07 0.0 -4.248711813070e-06 2.118677310480e-05 5*0.0 -1.123707917990e-04 -1.683205036690e-06 0.0 -2.630184006690e-05 -6.032433861320e-05
|
||||
5*0.0 4.025243071000e-05 -6.972409514200e-07 0.0 -3.346100234990e-06 2.124179625060e-05 5*0.0 -1.108122341720e-04 -1.905692384020e-06 0.0 -2.843642166550e-05 -6.016736324870e-05
|
||||
5*0.0 3.994736480320e-05 -6.148217333850e-07 0.0 -2.451682750160e-06 2.128842449500e-05 5*0.0 -1.092487221610e-04 -2.124127073010e-06 0.0 -3.053594151810e-05 -5.999328158050e-05
|
||||
5*0.0 3.963777127530e-05 -5.333545215210e-07 0.0 -1.565571016630e-06 2.132679340980e-05 5*0.0 -1.076808055340e-04 -2.338524197520e-06 0.0 -3.260030881210e-05 -5.980245375500e-05
|
||||
5*0.0 3.932361805500e-05 -4.528425833260e-07 0.0 -6.878736119110e-07 2.135703696120e-05 5*0.0 -1.061090250790e-04 -2.548899851110e-06 0.0 -3.462944680420e-05 -5.959523930250e-05
|
||||
5*0.0 3.900488832610e-05 -3.732895875980e-07 0.0 1.812983699560e-07 2.137929016170e-05 5*0.0 -1.045339133370e-04 -2.755270984620e-06 0.0 -3.662329276980e-05 -5.937199706170e-05
|
||||
5*0.0 3.868157596610e-05 -2.946986017750e-07 0.0 1.041835186580e-06 2.139368516800e-05 5*0.0 -1.029559931610e-04 -2.957655543900e-06 0.0 -3.858179770570e-05 -5.913308500680e-05
|
||||
501
tests/DFTB/nonscc/co
Normal file
501
tests/DFTB/nonscc/co
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, 0.015256 0.228568 -0.321372 0.367658 -0.182471 0.043752 2*0.0 3.29, 3.3, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 1.239102479630e+00 1.832610731040e+00 0.0 -7.149880129720e-01 1.400536196500e+00 5*0.0 -7.814745432690e-01 -9.074107134870e-01 0.0 -5.912086421380e-02 -8.618547720650e-01
|
||||
5*0.0 1.171683039720e+00 1.802741272210e+00 0.0 -6.890047958180e-01 1.348872531750e+00 5*0.0 -7.639346544810e-01 -9.009980857350e-01 0.0 -6.536874874700e-02 -8.563285548860e-01
|
||||
5*0.0 1.104851528740e+00 1.772535315140e+00 0.0 -6.603294173040e-01 1.302597324260e+00 5*0.0 -7.459233330430e-01 -8.943602927000e-01 0.0 -7.188948142730e-02 -8.508448417940e-01
|
||||
5*0.0 1.038793625500e+00 1.742066429570e+00 0.0 -6.293588494820e-01 1.261328155960e+00 5*0.0 -7.274797747610e-01 -8.875070605970e-01 0.0 -7.866538839140e-02 -8.454105942110e-01
|
||||
5*0.0 9.736735826390e-01 1.711403209440e+00 0.0 -5.964628164150e-01 1.224682605120e+00 5*0.0 -7.086426201670e-01 -8.804481165600e-01 0.0 -8.567792099050e-02 -8.400306819710e-01
|
||||
5*0.0 9.096356484300e-01 1.680609438280e+00 0.0 -5.619838739750e-01 1.192284004580e+00 5*0.0 -6.894498556670e-01 -8.731931642270e-01 0.0 -9.290785523820e-02 -8.347081133170e-01
|
||||
5*0.0 8.468054828480e-01 1.649744273180e+00 0.0 -5.262378534840e-01 1.163765825750e+00 5*0.0 -6.699387267410e-01 -8.657518613990e-01 0.0 -1.003354744360e-01 -8.294442536560e-01
|
||||
5*0.0 7.852915428190e-01 1.618862438590e+00 0.0 -4.895145789500e-01 1.138774934440e+00 5*0.0 -6.501456624720e-01 -8.581337996480e-01 0.0 -1.079407354050e-01 -8.242390325200e-01
|
||||
5*0.0 7.251864245280e-01 1.588014427100e+00 0.0 -4.520787989790e-01 1.116973933590e+00 5*0.0 -6.301062104430e-01 -8.503484858030e-01 0.0 -1.157034189990e-01 -8.190911375900e-01
|
||||
5*0.0 6.665681461110e-01 1.557246705260e+00 0.0 -4.141712611750e-01 1.098042756160e+00 5*0.0 -6.098549812720e-01 -8.424053251720e-01 0.0 -1.236032655150e-01 -8.139981954040e-01
|
||||
5*0.0 6.095013747990e-01 1.526601918510e+00 0.0 -3.760098974680e-01 1.081679661910e+00 5*0.0 -5.894256019380e-01 -8.343136064340e-01 0.0 -1.316200959380e-01 -8.089569384670e-01
|
||||
5*0.0 5.540385834430e-01 1.496119096280e+00 0.0 -3.377910685760e-01 1.067601753880e+00 5*0.0 -5.688506771940e-01 -8.260824880780e-01 0.0 -1.397339196820e-01 -8.039633589530e-01
|
||||
5*0.0 5.002211411830e-01 1.465833852660e+00 0.0 -2.996908467860e-01 1.055545117990e+00 5*0.0 -5.481617584200e-01 -8.177209862920e-01 0.0 -1.479250297720e-01 -7.990128491560e-01
|
||||
5*0.0 4.480803364530e-01 1.435778583260e+00 0.0 -2.618663031240e-01 1.045264662070e+00 5*0.0 -5.273893191480e-01 -8.092379642200e-01 0.0 -1.561740862910e-01 -7.941003292020e-01
|
||||
5*0.0 3.976383296550e-01 1.405982656280e+00 0.0 -2.244567864440e-01 1.036533730050e+00 5*0.0 -5.065627367860e-01 -8.006421224790e-01 0.0 -1.644621889050e-01 -7.892203624510e-01
|
||||
5*0.0 3.489090419090e-01 1.376472597000e+00 0.0 -1.875851758140e-01 1.029143548780e+00 5*0.0 -4.857102798700e-01 -7.919419908680e-01 0.0 -1.727709393540e-01 -7.843672591840e-01
|
||||
5*0.0 3.018989794770e-01 1.347272265220e+00 0.0 -1.513590954980e-01 1.022902544350e+00 5*0.0 -4.648591003620e-01 -7.831459211740e-01 0.0 -1.810824946120e-01 -7.795351692870e-01
|
||||
5*0.0 2.566079970630e-01 1.318403025590e+00 0.0 -1.158720844230e-01 1.017635573820e+00 5*0.0 -4.440352305170e-01 -7.742620809940e-01 0.0 -1.893796115800e-01 -7.747181644990e-01
|
||||
5*0.0 2.130300024740e-01 1.289883910420e+00 0.0 -8.120471387930e-02 1.013183098070e+00 5*0.0 -4.232635838070e-01 -7.652984485100e-01 0.0 -1.976456839680e-01 -7.699103109440e-01
|
||||
5*0.0 1.711536095580e-01 1.261731774450e+00 0.0 -4.742565041090e-02 1.009400322060e+00 5*0.0 -4.025679595450e-01 -7.562628081410e-01 0.0 -2.058647720960e-01 -7.651057326370e-01
|
||||
5*0.0 1.309627363950e-01 1.233961442460e+00 0.0 -1.459266160740e-02 1.006156320450e+00 5*0.0 -3.819710507720e-01 -7.471627469960e-01 0.0 -2.140216262590e-01 -7.602986665990e-01
|
||||
5*0.0 9.243715776100e-02 1.206585849120e+00 0.0 1.724643668150e-02 1.003333162110e+00 5*0.0 -3.614944550800e-01 -7.380056520840e-01 0.0 -2.221017042720e-01 -7.554835102810e-01
|
||||
5*0.0 5.555301301900e-02 1.179616171360e+00 0.0 4.805289167900e-02 1.000825049170e+00 5*0.0 -3.411586880120e-01 -7.287987082080e-01 0.0 -2.300911837750e-01 -7.506548618630e-01
|
||||
5*0.0 2.028327156530e-02 1.153061953630e+00 0.0 7.779618076040e-02 9.985374734610e-01 5*0.0 -3.209831987640e-01 -7.195488964910e-01 0.0 -2.379769698180e-01 -7.458075540520e-01
|
||||
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|
||||
5*0.0 8.151372958140e-07 -1.307449658320e-07 0.0 -4.162641520790e-06 -9.998200703820e-06 5*0.0 -1.676860368010e-05 6.854628201720e-07 0.0 1.925616724430e-05 1.366842297310e-05
|
||||
5*0.0 1.027735759530e-06 -1.285738067230e-07 0.0 -4.337139292320e-06 -9.822574378590e-06 5*0.0 -1.681291380160e-05 6.494274218910e-07 0.0 1.935836256970e-05 1.331141183580e-05
|
||||
5*0.0 1.230579577350e-06 -1.259842352180e-07 0.0 -4.504213828880e-06 -9.642335847120e-06 5*0.0 -1.684601167380e-05 6.134607298680e-07 0.0 1.944823029030e-05 1.295095781580e-05
|
||||
5*0.0 1.423992583300e-06 -1.229985195930e-07 0.0 -4.664012488960e-06 -9.457675577900e-06 5*0.0 -1.686818806520e-05 5.775850445960e-07 0.0 1.952596793420e-05 1.258728821870e-05
|
||||
5*0.0 1.608285012540e-06 -1.196381015110e-07 0.0 -4.816678016650e-06 -9.268781113710e-06 5*0.0 -1.687972959650e-05 5.418218924140e-07 0.0 1.959177372030e-05 1.222062736730e-05
|
||||
5*0.0 1.783755912660e-06 -1.159236338160e-07 0.0 -4.962348650440e-06 -9.075837025660e-06 5*0.0 -1.688091885400e-05 5.061920414450e-07 0.0 1.964584651710e-05 1.185119657530e-05
|
||||
5*0.0 1.950691959100e-06 -1.118749758740e-07 0.0 -5.101158690420e-06 -8.879024999360e-06 5*0.0 -1.687203449290e-05 4.707155176090e-07 0.0 1.968838579710e-05 1.147921412430e-05
|
||||
5*0.0 2.109368902850e-06 -1.075112425540e-07 0.0 -5.233238494490e-06 -8.678523869560e-06 5*0.0 -1.685335133260e-05 4.354116201320e-07 0.0 1.971959158730e-05 1.110489523500e-05
|
||||
5*0.0 2.260052489230e-06 -1.028509210830e-07 0.0 -5.358714791790e-06 -8.474509671260e-06 5*0.0 -1.682514044460e-05 4.002989365980e-07 0.0 1.973966441950e-05 1.072845204540e-05
|
||||
5*0.0 2.402997923410e-06 -9.791174782880e-08 0.0 -5.477710938050e-06 -8.267155742330e-06 5*0.0 -1.678766923130e-05 3.653953576650e-07 0.0 1.974880527560e-05 1.035009358740e-05
|
||||
5*0.0 2.538451008280e-06 -9.271084346880e-08 0.0 -5.590347135570e-06 -8.056632664070e-06 5*0.0 -1.674120149970e-05 3.307180913860e-07 0.0 1.974721553090e-05 9.970025764600e-06
|
||||
5*0.0 2.666648049010e-06 -8.726466370850e-08 0.0 -5.696740541280e-06 -7.843108349830e-06 5*0.0 -1.668599752730e-05 2.962836775440e-07 0.0 1.973509689540e-05 9.588451329090e-06
|
||||
5*0.0 2.787817318400e-06 -8.158912241440e-08 0.0 -5.797005673580e-06 -7.626748105380e-06 5*0.0 -1.662231412270e-05 2.621080010790e-07 0.0 1.971265135360e-05 9.205569864990e-06
|
||||
5*0.0 2.902178163060e-06 -7.569949854500e-08 0.0 -5.891254179660e-06 -7.407714652800e-06 5*0.0 -1.655040467970e-05 2.282063060370e-07 0.0 1.968008110360e-05 8.821577771320e-06
|
||||
5*0.0 3.009942328100e-06 -6.961054497020e-08 0.0 -5.979595496330e-06 -7.186168093800e-06 5*0.0 -1.647051922790e-05 1.945932084730e-07 0.0 1.963758849090e-05 8.436668236950e-06
|
||||
5*0.0 3.111313892430e-06 -6.333646151740e-08 0.0 -6.062136679710e-06 -6.962266055200e-06 5*0.0 -1.638290447540e-05 1.612827095160e-07 0.0 1.958537594610e-05 8.051031233410e-06
|
||||
141
tests/DFTB/nonscc/csc
Normal file
141
tests/DFTB/nonscc/csc
Normal file
|
|
@ -0,0 +1,141 @@
|
|||
0.1, 140,
|
||||
0.0, 0.0181496899, -0.0043674204, 0.0089203080, 0.0003271330, 0.0006152344, 3*0.0, 5.24, 5.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
3*0.0 0.84768157 0.96215218 -0.33035822 -0.30000077 -0.72459076 -0.03884485 0.14315329 3*0.0 -0.32685609 -0.30885542 -0.19041386 -0.15992191 0.03368969 -0.12293223 0.27708418
|
||||
3*0.0 0.82632226 1.06160713 -0.24022028 -0.29779006 -0.77506405 0.13249125 -0.01598347 3*0.0 -0.37310120 -0.36880796 -0.21646099 -0.16854607 0.03744903 -0.15752033 0.29212912
|
||||
3*0.0 0.75042774 1.11327616 -0.11896304 -0.27835067 -0.74915527 0.23228333 -0.11995154 3*0.0 -0.40265819 -0.41970456 -0.24625046 -0.17897693 0.03446989 -0.18941430 0.30599419
|
||||
3*0.0 0.64261034 1.12703770 0.01070710 -0.24630604 -0.66953351 0.27216572 -0.17453775 3*0.0 -0.41650558 -0.46140089 -0.27760699 -0.19082201 0.02442542 -0.21790224 0.31798280
|
||||
3*0.0 0.52042075 1.11219068 0.13235699 -0.20643009 -0.55792150 0.27173347 -0.19455544 3*0.0 -0.41628208 -0.49411431 -0.30830324 -0.20360663 0.00785057 -0.24306715 0.32804867
|
||||
3*0.0 0.39634292 1.07678312 0.23607202 -0.16282986 -0.43194120 0.24924021 -0.19463303 3*0.0 -0.40398218 -0.51831944 -0.33631639 -0.21682912 -0.01418383 -0.26545115 0.33651069
|
||||
3*0.0 0.27853621 1.02741826 0.31718071 -0.11868666 -0.30444914 0.21845740 -0.18593599 3*0.0 -0.38173150 -0.53466053 -0.35997824 -0.23000306 -0.04033978 -0.28577613 0.34382086
|
||||
3*0.0 0.17179089 0.96930529 0.37477575 -0.07626950 -0.18396623 0.18840334 -0.17574872 3*0.0 -0.35163181 -0.54388204 -0.37804085 -0.24268613 -0.06921019 -0.30475251 0.35041235
|
||||
3*0.0 0.07844959 0.90642121 0.41027720 -0.03705837 -0.07551352 0.16413503 -0.16810713 3*0.0 -0.31566139 -0.54677564 -0.38968311 -0.25449732 -0.09945160 -0.32296827 0.35661860
|
||||
3*0.0 -0.00081658 0.84171245 0.42640869 -0.00191333 0.01847767 0.14785038 -0.16473492 3*0.0 -0.27561682 -0.54414135 -0.39448027 -0.26512524 -0.12986392 -0.34083901 0.36264357
|
||||
3*0.0 -0.06640396 0.77729532 0.42644500 0.02876815 0.09735963 0.13987327 -0.16588083 3*0.0 -0.23308417 -0.53676001 -0.39235287 -0.27432978 -0.15943066 -0.35859930 0.36856425
|
||||
3*0.0 -0.11933449 0.71463635 0.41372809 0.05491780 0.16162122 0.13942359 -0.17096340 3*0.0 -0.18943020 -0.52537477 -0.38350680 -0.28193945 -0.18733188 -0.37631893 0.37435071
|
||||
3*0.0 -0.16094852 0.65470526 0.39138323 0.07668775 0.21241020 0.14517320 -0.17901889 3*0.0 -0.14580649 -0.51067919 -0.36837215 -0.28784578 -0.21293944 -0.39393237 0.37989354
|
||||
3*0.0 -0.19270117 0.59809980 0.36217303 0.09436757 0.25120014 0.15560673 -0.18898395 3*0.0 -0.10316136 -0.49331051 -0.34754553 -0.29199632 -0.23580194 -0.41127310 0.38503221
|
||||
3*0.0 -0.21603482 0.54514479 0.32843340 0.10832469 0.27957466 0.16923951 -0.19985899 3*0.0 -0.06225622 -0.47384646 -0.32173850 -0.29438682 -0.25562429 -0.42810745 0.38958092
|
||||
3*0.0 -0.23230226 0.49596881 0.29207672 0.11896049 0.29909073 0.18474087 -0.21079152 3*0.0 -0.02368382 -0.45280474 -0.29173305 -0.29505340 -0.27224535 -0.44416512 0.39334979
|
||||
3*0.0 -0.24272716 0.45056289 0.25461735 0.12668171 0.31120277 0.20098930 -0.22110540 3*0.0 0.01211283 -0.43064423 -0.25834455 -0.29406505 -0.28561567 -0.45916460 0.39616125
|
||||
3*0.0 -0.24838773 0.40882492 0.21722132 0.13188140 0.31722296 0.21708445 -0.23030250 3*0.0 0.04482206 -0.40776737 -0.22239156 -0.29151663 -0.29577651 -0.47283337 0.39786148
|
||||
3*0.0 -0.25021457 0.37059219 0.18075650 0.13492686 0.31830671 0.23233853 -0.23804537 3*0.0 0.07424587 -0.38452341 -0.18467186 -0.28752253 -0.30284086 -0.48492280 0.39832762
|
||||
3*0.0 -0.24899840 0.33566563 0.14584732 0.13615405 0.31545256 0.24625363 -0.24413272 3*0.0 0.10028351 -0.36121201 -0.14594401 -0.28221119 -0.30697649 -0.49521852 0.39747149
|
||||
3*0.0 -0.24540168 0.30382687 0.11292066 0.13586454 0.30951131 0.25849294 -0.24847358 3*0.0 0.12291621 -0.33808708 -0.10691353 -0.27572015 -0.30839133 -0.50354681 0.39524051
|
||||
3*0.0 -0.23997386 0.27485072 0.08225011 0.13432551 0.30119854 0.26885146 -0.25106184 3*0.0 0.14219330 -0.31536081 -0.06822297 -0.26819194 -0.30732088 -0.50977793 0.39161662
|
||||
3*0.0 -0.23316582 0.24851332 0.05399019 0.13177127 0.29111007 0.27722888 -0.25195406 3*0.0 0.15821947 -0.29320753 -0.03044537 -0.25977056 -0.30401757 -0.51382686 0.38661371
|
||||
3*0.0 -0.22534454 0.22459782 0.02820629 0.12840534 0.27973723 0.28360541 -0.25125061 3*0.0 0.17114344 -0.27176754 0.00591960 -0.25059856 -0.29874189 -0.51565219 0.38027419
|
||||
3*0.0 -0.21680670 0.20289794 0.00489874 0.12440322 0.26748159 0.28802120 -0.24908034 3*0.0 0.18114764 -0.25115084 0.04044718 -0.24081460 -0.29175521 -0.51525369 0.37266502
|
||||
3*0.0 -0.20779034 0.18321987 -0.01598102 0.11991554 0.25466855 0.29055875 -0.24558896 3*0.0 0.18843922 -0.23144056 0.07278719 -0.23055161 -0.28331386 -0.51266880 0.36387344
|
||||
3*0.0 -0.19848537 0.16538338 -0.03451372 0.11507038 0.24155951 0.29133027 -0.24092968 3*0.0 0.19324200 -0.21269627 0.10266203 -0.21993523 -0.27366462 -0.50796859 0.35400282
|
||||
3*0.0 -0.18904223 0.14922200 -0.05080364 0.10997649 0.22836259 0.29046688 -0.23525688 3*0.0 0.19578964 -0.19495705 0.12986355 -0.20908272 -0.26304123 -0.50125327 0.34316856
|
||||
3*0.0 -0.17957960 0.13458283 -0.06497017 0.10472537 0.21524188 0.28811045 -0.22872138 3*0.0 0.19631965 -0.17824431 0.15424881 -0.19810216 -0.25166184 -0.49264758 0.33149431
|
||||
3*0.0 -0.17019030 0.12132598 -0.07714199 0.09939380 0.20232526 0.28440788 -0.22146731 3*0.0 0.19506842 -0.16256441 0.17573507 -0.18709193 -0.23972734 -0.48229614 0.31910849
|
||||
3*0.0 -0.16094637 0.10932382 -0.08745243 0.09404555 0.18971102 0.27950678 -0.21363008 3*0.0 0.19226712 -0.14791105 0.19429426 -0.17614045 -0.22742031 -0.47035893 0.30614124
|
||||
3*0.0 -0.15190319 0.09846018 -0.09603695 0.08873332 0.17747341 0.27355224 -0.20533522 3*0.0 0.18813837 -0.13426740 0.20994700 -0.16532613 -0.21490461 -0.45700694 0.29272168
|
||||
3*0.0 -0.14310287 0.08862948 -0.10303033 0.08350014 0.16566717 0.26668481 -0.19669780 3*0.0 0.18289363 -0.12160804 0.22275652 -0.15471748 -0.20232537 -0.44241819 0.27897563
|
||||
3*0.0 -0.13457664 0.07973582 -0.10856504 0.07838085 0.15433134 0.25903896 -0.18782226 3*0.0 0.17673127 -0.10990071 0.23282244 -0.14437341 -0.18980940 -0.42677397 0.26502368
|
||||
3*0.0 -0.12634727 0.07169217 -0.11276997 0.07340311 0.14349223 0.25074205 -0.17880254 3*0.0 0.16983519 -0.09910783 0.24027469 -0.13434358 -0.17746592 -0.41025558 0.25097963
|
||||
3*0.0 -0.11843064 0.06441961 -0.11576968 0.06858854 0.13316600 0.24191375 -0.16972242 3*0.0 0.16237399 -0.08918784 0.24526761 -0.12466890 -0.16538745 -0.39304130 0.23694933
|
||||
3*0.0 -0.11083706 0.05784651 -0.11768302 0.06395353 0.12336062 0.23266561 -0.16065589 3*0.0 0.15450049 -0.08009638 0.24797440 -0.11538208 -0.15365086 -0.37530395 0.22302976
|
||||
3*0.0 -0.10357244 0.05190790 -0.11862352 0.05951003 0.11407756 0.22310091 -0.15166773 3*0.0 0.14635169 -0.07178730 0.24858188 -0.10650824 -0.14231863 -0.35720868 0.20930842
|
||||
3*0.0 -0.09663910 0.04654484 -0.11869826 0.05526625 0.10531306 0.21331456 -0.14281401 3*0.0 0.13804901 -0.06421349 0.24728572 -0.09806557 -0.13144002 -0.33891126 0.19586304
|
||||
3*0.0 -0.09003655 0.04170384 -0.11800813 0.05122721 0.09705923 0.20339317 -0.13414273 3*0.0 0.12969874 -0.05732769 0.24428610 -0.09006592 -0.12105237 -0.32055669 0.18276147
|
||||
3*0.0 -0.08376192 0.03733633 -0.11664743 0.04739522 0.08930495 0.19341520 -0.12569435 3*0.0 0.12139274 -0.05108298 0.23978394 -0.08251551 -0.11118235 -0.30227821 0.17006171
|
||||
3*0.0 -0.07781058 0.03339819 -0.11470418 0.04377042 0.08203653 0.18345112 -0.11750241 3*0.0 0.11320923 -0.04543340 0.23397755 -0.07541558 -0.10184720 -0.28419659 0.15781222
|
||||
3*0.0 -0.07217638 0.02984938 -0.11225991 0.04035105 0.07523832 0.17356372 -0.10959412 3*0.0 0.10521372 -0.04033422 0.22705982 -0.06876299 -0.09305591 -0.26641973 0.14605228
|
||||
3*0.0 -0.06685200 0.02665348 -0.10938994 0.03713385 0.06889323 0.16380839 -0.10199090 3*0.0 0.09745999 -0.03574238 0.21921585 -0.06255086 -0.08481031 -0.24904256 0.13481250
|
||||
3*0.0 -0.06182924 0.02377740 -0.10616361 0.03411432 0.06298303 0.15423347 -0.09470896 3*0.0 0.08999109 -0.03161663 0.21062113 -0.05676909 -0.07710618 -0.23214711 0.12411537
|
||||
3*0.0 -0.05709912 0.02119106 -0.10264443 0.03128696 0.05748879 0.14488061 -0.08775982 3*0.0 0.08284040 -0.02791775 0.20144002 -0.05140496 -0.06993417 -0.21580283 0.11397592
|
||||
3*0.0 -0.05265215 0.01886709 -0.09889040 0.02864553 0.05239109 0.13578520 -0.08115080 3*0.0 0.07603264 -0.02460865 0.19182475 -0.04644361 -0.06328072 -0.20006703 0.10440239
|
||||
3*0.0 -0.04847840 0.01678062 -0.09495426 0.02618316 0.04767026 0.12697676 -0.07488557 3*0.0 0.06958485 -0.02165445 0.18191469 -0.04186847 -0.05712883 -0.18498552 0.09539690
|
||||
3*0.0 -0.04456765 0.01490901 -0.09088377 0.02389255 0.04330658 0.11847933 -0.06896447 3*0.0 0.06350734 -0.01902250 0.17183598 -0.03766168 -0.05145886 -0.17059329 0.08695619
|
||||
3*0.0 -0.04090948 0.01323168 -0.08672204 0.02176611 0.03928047 0.11031199 -0.06338511 3*0.0 0.05780464 -0.01668235 0.16170142 -0.03380450 -0.04624909 -0.15691531 0.07907228
|
||||
3*0.0 -0.03749331 0.01172989 -0.08250772 0.01979604 0.03557257 0.10248919 -0.05814263 3*0.0 0.05247628 -0.01460579 0.15161060 -0.03027759 -0.04147639 -0.14396736 0.07173313
|
||||
3*0.0 -0.03430855 0.01038663 -0.07827537 0.01797444 0.03216391 0.09502119 -0.05323011 3*0.0 0.04751760 -0.01276669 0.14165028 -0.02706134 -0.03711664 -0.13175689 0.06492331
|
||||
3*0.0 -0.03134457 0.00918640 -0.07405566 0.01629341 0.02903595 0.08791448 -0.04863893 3*0.0 0.04292050 -0.01114103 0.13189480 -0.02413609 -0.03314519 -0.12028394 0.05862457
|
||||
3*0.0 -0.02859082 0.00811513 -0.06987565 0.01474509 0.02617070 0.08117215 -0.04435903 3*0.0 0.03867403 -0.00970675 0.12240681 -0.02148236 -0.02953725 -0.10954196 0.05281643
|
||||
3*0.0 -0.02603683 0.00716003 -0.06575901 0.01332170 0.02355077 0.07479431 -0.04037924 3*0.0 0.03476503 -0.00844366 0.11323791 -0.01908105 -0.02626819 -0.09951873 0.04747668
|
||||
3*0.0 -0.02367227 0.00630947 -0.06172627 0.01201566 0.02115940 0.06877836 -0.03668749 3*0.0 0.03117864 -0.00733337 0.10442951 -0.01691354 -0.02331380 -0.09019715 0.04258185
|
||||
3*0.0 -0.02148696 0.00555292 -0.05779502 0.01081954 0.01898047 0.06311942 -0.03327106 3*0.0 0.02789875 -0.00635915 0.09601364 -0.01496185 -0.02065049 -0.08155603 0.03810765
|
||||
3*0.0 -0.01947095 0.00488079 -0.05398014 0.00972615 0.01699870 0.05781058 -0.03011676 3*0.0 0.02490840 -0.00550586 0.08801380 -0.01320873 -0.01825548 -0.07357086 0.03402932
|
||||
3*0.0 -0.01761449 0.00428441 -0.05029394 0.00872853 0.01519939 0.05284323 -0.02721113 3*0.0 0.02219015 -0.00475979 0.08044589 -0.01163773 -0.01610693 -0.06621444 0.03032197
|
||||
3*0.0 -0.01590809 0.00375592 -0.04674644 0.00782001 0.01356863 0.04820731 -0.02454056 3*0.0 0.01972637 -0.00410860 0.07331901 -0.01023323 -0.01418402 -0.05945759 0.02696087
|
||||
3*0.0 -0.01434251 0.00328820 -0.04334549 0.00699418 0.01209324 0.04389160 -0.02209147 3*0.0 0.01749949 -0.00354119 0.06663630 -0.00898052 -0.01246704 -0.05326963 0.02392169
|
||||
3*0.0 -0.01290882 0.00287482 -0.04009698 0.00624491 0.01076078 0.03988390 -0.01985040 3*0.0 0.01549220 -0.00304761 0.06039579 -0.00786575 -0.01093742 -0.04761898 0.02118070
|
||||
3*0.0 -0.01159837 0.00250995 -0.03700497 0.00556638 0.00955955 0.03617128 -0.01780411 3*0.0 0.01368764 -0.00261898 0.05459109 -0.00687600 -0.00957775 -0.04247358 0.01871492
|
||||
3*0.0 -0.01040286 0.00218834 -0.03407193 0.00495308 0.00847855 0.03274028 -0.01593965 3*0.0 0.01206951 -0.00224734 0.04921216 -0.00599925 -0.00837182 -0.03780128 0.01650226
|
||||
3*0.0 -0.00931429 0.00190527 -0.03129882 0.00439977 0.00750747 0.02957707 -0.01424448 3*0.0 0.01062219 -0.00192564 0.04424590 -0.00522433 -0.00730454 -0.03357019 0.01452165
|
||||
3*0.0 -0.00832500 0.00165646 -0.02868530 0.00390153 0.00663668 0.02666757 -0.01270645 3*0.0 0.00933082 -0.00164761 0.03967684 -0.00454095 -0.00636199 -0.02974900 0.01275308
|
||||
3*0.0 -0.00742768 0.00143809 -0.02622986 0.00345372 0.00585724 0.02399768 -0.01131391 3*0.0 0.00818135 -0.00140770 0.03548757 -0.00393963 -0.00553132 -0.02630721 0.01117763
|
||||
3*0.0 -0.00661538 0.00124671 -0.02392995 0.00305202 0.00516079 0.02155330 -0.01005572 3*0.0 0.00716058 -0.00120099 0.03165932 -0.00341169 -0.00480076 -0.02321529 0.00977756
|
||||
3*0.0 -0.00588147 0.00107923 -0.02178215 0.00269236 0.00453963 0.01932052 -0.00892125 3*0.0 0.00625616 -0.00102315 0.02817237 -0.00294919 -0.00415954 -0.02044493 0.00853626
|
||||
3*0.0 -0.00521970 0.00093289 -0.01978227 0.00237096 0.00398660 0.01728566 -0.00790045 3*0.0 0.00545661 -0.00087038 0.02500640 -0.00254490 -0.00359786 -0.01796907 0.00743830
|
||||
3*0.0 -0.00462417 0.00080520 -0.01792548 0.00208430 0.00349511 0.01543537 -0.00698381 3*0.0 0.00475129 -0.00073933 0.02214085 -0.00219228 -0.00310680 -0.01576205 0.00646936
|
||||
3*0.0 -0.00408929 0.00069396 -0.01620644 0.00182911 0.00305911 0.01375670 -0.00616237 3*0.0 0.00413041 -0.00062707 0.01955518 -0.00188537 -0.00267831 -0.01379965 0.00561622
|
||||
3*0.0 -0.00360986 0.00059720 -0.01461938 0.00160238 0.00267303 0.01223715 -0.00542775 3*0.0 0.00358497 -0.00053103 0.01722913 -0.00161884 -0.00230512 -0.01205911 0.00486674
|
||||
3*0.0 -0.00318097 0.00051316 -0.01315823 0.00140133 0.00233177 0.01086472 -0.00477210 3*0.0 0.00310677 -0.00044899 0.01514289 -0.00138786 -0.00198069 -0.01051918 0.00420979
|
||||
3*0.0 -0.00279807 0.00044028 -0.01181667 0.00122339 0.00203066 0.00962791 -0.00418812 3*0.0 0.00268832 -0.00037900 0.01327730 -0.00118811 -0.00169915 -0.00916007 0.00363521
|
||||
3*0.0 -0.00245690 0.00037717 -0.01058826 0.00106622 0.00176547 0.00851581 -0.00366902 3*0.0 0.00232284 -0.00031936 0.01161392 -0.00101573 -0.00145527 -0.00796344 0.00313377
|
||||
3*0.0 -0.00215352 0.00032261 -0.00946648 0.00092766 0.00153232 0.00751806 -0.00320853 3*0.0 0.00200419 -0.00026860 0.01013516 -0.00086729 -0.00124437 -0.00691240 0.00269711
|
||||
3*0.0 -0.00188428 0.00027551 -0.00844481 0.00080574 0.00132771 0.00662487 -0.00280085 3*0.0 0.00172684 -0.00022546 0.00882437 -0.00073971 -0.00106229 -0.00599139 0.00231765
|
||||
3*0.0 -0.00164581 0.00023492 -0.00751678 0.00069868 0.00114848 0.00582705 -0.00244065 3*0.0 0.00148585 -0.00018884 0.00766582 -0.00063029 -0.00090534 -0.00518618 0.00198859
|
||||
3*0.0 -0.00143502 0.00019999 -0.00667605 0.00060485 0.00099176 0.00511598 -0.00212305 3*0.0 0.00127676 -0.00015780 0.00664481 -0.00053662 -0.00077028 -0.00448381 0.00170381
|
||||
3*0.0 -0.00124905 0.00016998 -0.00591639 0.00052277 0.00085496 0.00448361 -0.00184355 3*0.0 0.00109563 -0.00013150 0.00574760 -0.00045658 -0.00065423 -0.00387249 0.00145785
|
||||
3*0.0 -0.00108531 0.00014423 -0.00523180 0.00045111 0.00073576 0.00392246 -0.00159808 3*0.0 0.00093893 -0.00010927 0.00496147 -0.00038832 -0.00055465 -0.00334153 0.00124583
|
||||
3*0.0 -0.00094141 0.00012218 -0.00461645 0.00038867 0.00063209 0.00342558 -0.00138293 3*0.0 0.00080354 -0.00009048 0.00427466 -0.00033019 -0.00046934 -0.00288131 0.00106339
|
||||
3*0.0 -0.00081520 0.00010331 -0.00406480 0.00033437 0.00054208 0.00298656 -0.00119472 3*0.0 0.00068669 -0.00007464 0.00367636 -0.00028078 -0.00039635 -0.00248317 0.00090670
|
||||
3*0.0 -0.00070471 0.00008721 -0.00357154 0.00028724 0.00046406 0.00259949 -0.00103040 3*0.0 0.00058597 -0.00006129 0.00315668 -0.00023884 -0.00033398 -0.00213935 0.00077234
|
||||
3*0.0 -0.00060816 0.00007347 -0.00313163 0.00024640 0.00039657 0.00225894 -0.00088722 3*0.0 0.00049922 -0.00005006 0.00270658 -0.00020328 -0.00028076 -0.00184292 0.00065731
|
||||
3*0.0 -0.00052395 0.00006178 -0.00274032 0.00021108 0.00033827 0.00195994 -0.00076269 3*0.0 0.00042458 -0.00004063 0.00231790 -0.00017316 -0.00023540 -0.00158773 0.00055898
|
||||
3*0.0 -0.00045065 0.00005184 -0.00239315 0.00018060 0.00028801 0.00169797 -0.00065461 3*0.0 0.00036040 -0.00003273 0.00198321 -0.00014767 -0.00019680 -0.00136829 0.00047502
|
||||
3*0.0 -0.00038694 0.00004341 -0.00208593 0.00015432 0.00024475 0.00146889 -0.00056096 3*0.0 0.00030525 -0.00002612 0.00169584 -0.00012611 -0.00016398 -0.00117979 0.00040343
|
||||
3*0.0 -0.00033167 0.00003626 -0.00181478 0.00013172 0.00020759 0.00126897 -0.00047998 3*0.0 0.00025789 -0.00002061 0.00144981 -0.00010787 -0.00013612 -0.00101795 0.00034243
|
||||
3*0.0 -0.00028381 0.00003022 -0.00157608 0.00011231 0.00017570 0.00109483 -0.00041007 3*0.0 0.00021724 -0.00001602 0.00123975 -0.00009245 -0.00011250 -0.00087906 0.00029048
|
||||
3*0.0 -0.00024243 0.00002511 -0.00136649 0.00009567 0.00014841 0.00094341 -0.00034982 3*0.0 0.00018235 -0.00001222 0.00106089 -0.00007939 -0.00009251 -0.00075983 0.00024628
|
||||
3*0.0 -0.00020671 0.00002081 -0.00118294 0.00008141 0.00012507 0.00081198 -0.00029799 3*0.0 0.00015243 -0.00000908 0.00090899 -0.00006833 -0.00007560 -0.00065743 0.00020866
|
||||
3*0.0 -0.00017592 0.00001718 -0.00102260 0.00006923 0.00010516 0.00069809 -0.00025348 3*0.0 0.00012678 -0.00000650 0.00078031 -0.00005893 -0.00006134 -0.00056938 0.00017664
|
||||
3*0.0 -0.00014943 0.00001414 -0.00088289 0.00005881 0.00008820 0.00059953 -0.00021530 3*0.0 0.00010478 -0.00000439 0.00067154 -0.00005094 -0.00004933 -0.00049355 0.00014938
|
||||
3*0.0 -0.00012666 0.00001159 -0.00076147 0.00004993 0.00007378 0.00051436 -0.00018261 3*0.0 0.00008594 -0.00000268 0.00057979 -0.00004412 -0.00003923 -0.00042808 0.00012613
|
||||
3*0.0 -0.00010712 0.00000945 -0.00065620 0.00004235 0.00006154 0.00044084 -0.00015465 3*0.0 0.00006980 -0.00000131 0.00050253 -0.00003828 -0.00003078 -0.00037139 0.00010629
|
||||
3*0.0 -0.00009038 0.00000767 -0.00056516 0.00003590 0.00005117 0.00037744 -0.00013077 3*0.0 0.00005599 -0.00000022 0.00043754 -0.00003326 -0.00002372 -0.00032214 0.00008933
|
||||
3*0.0 -0.00007605 0.00000618 -0.00048661 0.00003040 0.00004241 0.00032280 -0.00011038 3*0.0 0.00004417 0.00000063 0.00038291 -0.00002891 -0.00001784 -0.00027916 0.00007479
|
||||
3*0.0 -0.00006379 0.00000495 -0.00041899 0.00002572 0.00003502 0.00027573 -0.00009300 3*0.0 0.00003408 0.00000128 0.00033700 -0.00002515 -0.00001298 -0.00024149 0.00006230
|
||||
3*0.0 -0.00005333 0.00000393 -0.00036091 0.00002173 0.00002879 0.00023518 -0.00007819 3*0.0 0.00002547 0.00000176 0.00029838 -0.00002185 -0.00000899 -0.00020829 0.00005154
|
||||
3*0.0 -0.00004440 0.00000309 -0.00031111 0.00001833 0.00002357 0.00020024 -0.00006557 3*0.0 0.00001814 0.00000210 0.00026582 -0.00001896 -0.00000573 -0.00017887 0.00004224
|
||||
3*0.0 -0.00003680 0.00000240 -0.00026850 0.00001543 0.00001919 0.00017012 -0.00005482 3*0.0 0.00001192 0.00000232 0.00023830 -0.00001641 -0.00000309 -0.00015266 0.00003417
|
||||
3*0.0 -0.00003032 0.00000183 -0.00023210 0.00001295 0.00001554 0.00014412 -0.00004566 3*0.0 0.00000665 0.00000245 0.00021493 -0.00001414 -0.00000100 -0.00012916 0.00002714
|
||||
3*0.0 -0.00002482 0.00000137 -0.00020105 0.00001083 0.00001251 0.00012164 -0.00003786 3*0.0 0.00000222 0.00000250 0.00019498 -0.00001212 0.00000064 -0.00010798 0.00002100
|
||||
3*0.0 -0.00002014 0.00000100 -0.00017457 0.00000901 0.00000999 0.00010218 -0.00003121 3*0.0 -0.00000149 0.00000248 0.00017782 -0.00001030 0.00000190 -0.00008878 0.00001561
|
||||
3*0.0 -0.00001617 0.00000071 -0.00015202 0.00000744 0.00000792 0.00008527 -0.00002553 3*0.0 -0.00000458 0.00000241 0.00016292 -0.00000866 0.00000282 -0.00007130 0.00001087
|
||||
3*0.0 -0.00001281 0.00000048 -0.00013280 0.00000610 0.00000622 0.00007055 -0.00002067 3*0.0 -0.00000712 0.00000230 0.00014987 -0.00000717 0.00000346 -0.00005531 0.00000668
|
||||
3*0.0 -0.00000997 0.00000030 -0.00011643 0.00000493 0.00000484 0.00005769 -0.00001651 3*0.0 -0.00000918 0.00000215 0.00013830 -0.00000582 0.00000386 -0.00004064 0.00000297
|
||||
3*0.0 -0.00000757 0.00000016 -0.00010245 0.00000392 0.00000373 0.00004642 -0.00001294 3*0.0 -0.00001083 0.00000198 0.00012793 -0.00000459 0.00000407 -0.00002712 -0.00000032
|
||||
3*0.0 -0.00000554 0.00000006 -0.00009050 0.00000304 0.00000284 0.00003650 -0.00000987 3*0.0 -0.00001211 0.00000178 0.00011853 -0.00000347 0.00000410 -0.00001466 -0.00000324
|
||||
3*0.0 -0.00000385 -0.00000001 -0.00008025 0.00000227 0.00000214 0.00002773 -0.00000722 3*0.0 -0.00001308 0.00000158 0.00010991 -0.00000245 0.00000399 -0.00000314 -0.00000584
|
||||
3*0.0 -0.00000242 -0.00000006 -0.00007142 0.00000160 0.00000161 0.00001995 -0.00000494 3*0.0 -0.00001378 0.00000136 0.00010191 -0.00000152 0.00000377 0.00000750 -0.00000815
|
||||
3*0.0 -0.00000124 -0.00000008 -0.00006379 0.00000101 0.00000121 0.00001301 -0.00000296 3*0.0 -0.00001423 0.00000115 0.00009443 -0.00000066 0.00000344 0.00001733 -0.00001020
|
||||
3*0.0 -0.00000026 -0.00000009 -0.00005715 0.00000049 0.00000092 0.00000681 -0.00000124 3*0.0 -0.00001447 0.00000093 0.00008738 0.00000011 0.00000304 0.00002641 -0.00001202
|
||||
3*0.0 0.00000055 -0.00000009 -0.00005134 0.00000003 0.00000073 0.00000125 0.00000026 3*0.0 -0.00001454 0.00000071 0.00008068 0.00000082 0.00000258 0.00003477 -0.00001362
|
||||
3*0.0 0.00000121 -0.00000008 -0.00004621 -0.00000038 0.00000061 -0.00000376 0.00000156 3*0.0 -0.00001445 0.00000049 0.00007429 0.00000146 0.00000207 0.00004244 -0.00001504
|
||||
3*0.0 0.00000174 -0.00000005 -0.00004165 -0.00000074 0.00000056 -0.00000828 0.00000270 3*0.0 -0.00001422 0.00000028 0.00006816 0.00000203 0.00000152 0.00004947 -0.00001627
|
||||
3*0.0 0.00000215 -0.00000003 -0.00003757 -0.00000105 0.00000056 -0.00001237 0.00000369 3*0.0 -0.00001389 0.00000008 0.00006229 0.00000255 0.00000095 0.00005588 -0.00001734
|
||||
3*0.0 0.00000248 0.00000001 -0.00003388 -0.00000134 0.00000061 -0.00001607 0.00000456 3*0.0 -0.00001345 -0.00000011 0.00005664 0.00000301 0.00000036 0.00006169 -0.00001826
|
||||
3*0.0 0.00000272 0.00000004 -0.00003053 -0.00000159 0.00000069 -0.00001942 0.00000532 3*0.0 -0.00001294 -0.00000030 0.00005122 0.00000342 -0.00000024 0.00006692 -0.00001903
|
||||
3*0.0 0.00000289 0.00000008 -0.00002744 -0.00000180 0.00000080 -0.00002245 0.00000597 3*0.0 -0.00001236 -0.00000047 0.00004601 0.00000378 -0.00000084 0.00007161 -0.00001968
|
||||
3*0.0 0.00000300 0.00000012 -0.00002460 -0.00000200 0.00000093 -0.00002519 0.00000655 3*0.0 -0.00001173 -0.00000063 0.00004101 0.00000410 -0.00000143 0.00007576 -0.00002020
|
||||
3*0.0 0.00000306 0.00000016 -0.00002195 -0.00000216 0.00000108 -0.00002765 0.00000704 3*0.0 -0.00001106 -0.00000078 0.00003622 0.00000437 -0.00000201 0.00007940 -0.00002061
|
||||
3*0.0 0.00000307 0.00000020 -0.00001948 -0.00000231 0.00000124 -0.00002986 0.00000746 3*0.0 -0.00001036 -0.00000092 0.00003164 0.00000460 -0.00000257 0.00008255 -0.00002091
|
||||
3*0.0 0.00000304 0.00000024 -0.00001717 -0.00000243 0.00000140 -0.00003184 0.00000782 3*0.0 -0.00000964 -0.00000105 0.00002728 0.00000479 -0.00000311 0.00008524 -0.00002112
|
||||
3*0.0 0.00000299 0.00000028 -0.00001499 -0.00000254 0.00000158 -0.00003359 0.00000812 3*0.0 -0.00000890 -0.00000116 0.00002314 0.00000495 -0.00000364 0.00008748 -0.00002124
|
||||
3*0.0 0.00000290 0.00000032 -0.00001294 -0.00000262 0.00000175 -0.00003513 0.00000837 3*0.0 -0.00000816 -0.00000127 0.00001922 0.00000508 -0.00000413 0.00008930 -0.00002127
|
||||
3*0.0 0.00000279 0.00000035 -0.00001100 -0.00000270 0.00000192 -0.00003648 0.00000857 3*0.0 -0.00000742 -0.00000136 0.00001552 0.00000517 -0.00000460 0.00009072 -0.00002123
|
||||
3*0.0 0.00000267 0.00000039 -0.00000918 -0.00000275 0.00000209 -0.00003763 0.00000872 3*0.0 -0.00000669 -0.00000144 0.00001204 0.00000523 -0.00000504 0.00009176 -0.00002112
|
||||
3*0.0 0.00000252 0.00000042 -0.00000746 -0.00000279 0.00000226 -0.00003861 0.00000883 3*0.0 -0.00000597 -0.00000151 0.00000878 0.00000527 -0.00000545 0.00009245 -0.00002094
|
||||
3*0.0 0.00000237 0.00000044 -0.00000583 -0.00000282 0.00000242 -0.00003941 0.00000890 3*0.0 -0.00000526 -0.00000157 0.00000575 0.00000529 -0.00000582 0.00009280 -0.00002071
|
||||
3*0.0 0.00000221 0.00000047 -0.00000431 -0.00000284 0.00000257 -0.00004005 0.00000894 3*0.0 -0.00000458 -0.00000163 0.00000292 0.00000528 -0.00000617 0.00009285 -0.00002043
|
||||
3*0.0 0.00000204 0.00000049 -0.00000287 -0.00000284 0.00000272 -0.00004054 0.00000895 3*0.0 -0.00000392 -0.00000167 0.00000032 0.00000525 -0.00000648 0.00009261 -0.00002010
|
||||
3*0.0 0.00000186 0.00000051 -0.00000153 -0.00000284 0.00000285 -0.00004089 0.00000893 3*0.0 -0.00000328 -0.00000170 -0.00000208 0.00000521 -0.00000676 0.00009210 -0.00001973
|
||||
3*0.0 0.00000168 0.00000053 -0.00000028 -0.00000282 0.00000298 -0.00004110 0.00000888 3*0.0 -0.00000267 -0.00000172 -0.00000428 0.00000515 -0.00000700 0.00009135 -0.00001933
|
||||
501
tests/DFTB/nonscc/csi
Normal file
501
tests/DFTB/nonscc/csi
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, 0.034081 0.313808 -0.764574 0.627970 -0.140978 -0.044222 0.022026 -0.001937 4.4000, 4.4, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -4.743354898790e-01 -1.130501155210e-01 0.0 -8.440081576410e-01 9.450396965580e-01 5*0.0 6.912917099360e-01 6.972278210760e-01 0.0 2.567543341070e-01 -7.870977446630e-01
|
||||
5*0.0 -5.022829835480e-01 -1.309286488440e-01 0.0 -8.151353109030e-01 9.287720510630e-01 5*0.0 6.892364015290e-01 6.968973985170e-01 0.0 2.657021070560e-01 -7.841029879080e-01
|
||||
5*0.0 -5.279289844600e-01 -1.484000372860e-01 0.0 -7.852173896210e-01 9.104156132820e-01 5*0.0 6.868758125170e-01 6.964967021810e-01 0.0 2.743455288230e-01 -7.809590016030e-01
|
||||
5*0.0 -5.512482536990e-01 -1.654166852970e-01 0.0 -7.547056595030e-01 8.904574172480e-01 5*0.0 6.841977177330e-01 6.960213540070e-01 0.0 2.827026974330e-01 -7.776798584370e-01
|
||||
5*0.0 -5.722382015410e-01 -1.819383613790e-01 0.0 -7.239907678770e-01 8.693309468210e-01 5*0.0 6.811913740780e-01 6.954672271140e-01 0.0 2.907915940870e-01 -7.742796982910e-01
|
||||
5*0.0 -5.909156341890e-01 -1.979315656770e-01 0.0 -6.934076946890e-01 8.474182617160e-01 5*0.0 6.778475134050e-01 6.948304547380e-01 0.0 2.986298926790e-01 -7.707725331380e-01
|
||||
5*0.0 -6.073137939640e-01 -2.133689243760e-01 0.0 -6.632406826520e-01 8.250528256740e-01 5*0.0 6.741583238980e-01 6.941074366170e-01 0.0 3.062348001010e-01 -7.671720834410e-01
|
||||
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5*0.0 7.001462199500e-02 -1.328366496160e-02 0.0 -6.511933145170e-02 3.771906454540e-02 5*0.0 -1.009702990710e-01 1.589256970050e-02 0.0 7.389768904460e-02 -3.543535591400e-02
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5*0.0 6.882682651390e-02 -1.295417002490e-02 0.0 -6.379191134570e-02 3.683218648440e-02 5*0.0 -9.892971830520e-02 1.543105482450e-02 0.0 7.213898803840e-02 -3.449001731800e-02
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5*0.0 6.765294796260e-02 -1.263197598320e-02 0.0 -6.248609152170e-02 3.596318371450e-02 5*0.0 -9.691727096960e-02 1.498124448560e-02 0.0 7.041321980370e-02 -3.356589617110e-02
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5*0.0 6.649296879700e-02 -1.231694129370e-02 0.0 -6.120165214700e-02 3.511177548770e-02 5*0.0 -9.493293583390e-02 1.454288872780e-02 0.0 6.872001010240e-02 -3.266264052910e-02
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5*0.0 6.534686693020e-02 -1.200892671200e-02 0.0 -5.993837191200e-02 3.427768320400e-02 5*0.0 -9.297667792510e-02 1.411574165260e-02 0.0 6.705898185320e-02 -3.177990068840e-02
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5*0.0 6.421461604010e-02 -1.170779527970e-02 0.0 -5.869602848730e-02 3.346063061910e-02 5*0.0 -9.104844897080e-02 1.369956137080e-02 0.0 6.542975548920e-02 -3.091732938580e-02
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5*0.0 6.309618564120e-02 -1.141341229020e-02 0.0 -5.747439847220e-02 3.266034386030e-02 5*0.0 -8.914818792970e-02 1.329410999640e-02 0.0 6.383194921180e-02 -3.007458187740e-02
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5*0.0 6.199154118210e-02 -1.112564525000e-02 0.0 -5.627325754810e-02 3.187655141240e-02 5*0.0 -8.727582142770e-02 1.289915359890e-02 0.0 6.226517923160e-02 -2.925131595060e-02
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5*0.0 6.090064431560e-02 -1.084436388130e-02 0.0 -5.509238068360e-02 3.110898422100e-02 5*0.0 -8.543126430710e-02 1.251446219580e-02 0.0 6.072906012080e-02 -2.844719214570e-02
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5*0.0 5.982345282800e-02 -1.056944004700e-02 0.0 -5.393154212970e-02 3.035737572420e-02 5*0.0 -8.361441992710e-02 1.213980968660e-02 0.0 5.922320495540e-02 -2.766187373760e-02
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5*0.0 5.875992102960e-02 -1.030074777750e-02 0.0 -5.279051572970e-02 2.962146191500e-02 5*0.0 -8.182518081240e-02 1.177497386340e-02 0.0 5.774722567410e-02 -2.689502687650e-02
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5*0.0 5.770999962500e-02 -1.003816319420e-02 0.0 -5.166907480270e-02 2.890098130130e-02 5*0.0 -8.006342893950e-02 1.141973634130e-02 0.0 5.630073324530e-02 -2.614632060790e-02
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5*0.0 5.667363599930e-02 -9.781564516960e-03 0.0 -5.056699241850e-02 2.819567500670e-02 5*0.0 -7.832903623470e-02 1.107388254400e-02 0.0 5.488333791270e-02 -2.541542699750e-02
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5*0.0 5.565077429560e-02 -9.530832016300e-03 0.0 -4.948404146590e-02 2.750528679440e-02 5*0.0 -7.662186501320e-02 1.073720166660e-02 0.0 5.349464945450e-02 -2.470202115790e-02
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5*0.0 5.464135557250e-02 -9.285848008370e-03 0.0 -4.841999475430e-02 2.682956308100e-02 5*0.0 -7.494176835690e-02 1.040948663530e-02 0.0 5.213427738100e-02 -2.400578135390e-02
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5*0.0 5.364531776720e-02 -9.046496788550e-03 0.0 -4.737462503730e-02 2.616825293120e-02 5*0.0 -7.328859053370e-02 1.009053407140e-02 0.0 5.080183112880e-02 -2.332638901130e-02
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5*0.0 5.266259605800e-02 -8.812664659760e-03 0.0 -4.634770526940e-02 2.552110814260e-02 5*0.0 -7.166216740890e-02 9.780144256220e-03 0.0 4.949692030410e-02 -2.266352880210e-02
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5*0.0 5.169312275520e-02 -8.584239852960e-03 0.0 -4.533900856450e-02 2.488788323630e-02 5*0.0 -7.006232682510e-02 9.478121096650e-03 0.0 4.821915484170e-02 -2.201688869830e-02
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5*0.0 5.073682753120e-02 -8.361112541920e-03 0.0 -4.434830831390e-02 2.426833545700e-02 5*0.0 -6.848888897710e-02 9.184272080080e-03 0.0 4.696814521600e-02 -2.138616000060e-02
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5*0.0 4.979363747340e-02 -8.143174786060e-03 0.0 -4.337537831520e-02 2.366222481950e-02 5*0.0 -6.694166679680e-02 8.898408237290e-03 0.0 4.574350262770e-02 -2.077103740200e-02
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5*0.0 4.886347722360e-02 -7.930320530250e-03 0.0 -4.241999281380e-02 2.306931408470e-02 5*0.0 -6.542046631800e-02 8.620344111530e-03 0.0 4.454483917010e-02 -2.017121900870e-02
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5*0.0 4.794626903490e-02 -7.722445555860e-03 0.0 -4.148192659300e-02 2.248936882040e-02 5*0.0 -6.392508699750e-02 8.349897699320e-03 0.0 4.337176800200e-02 -1.958640640300e-02
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5*0.0 4.704193294460e-02 -7.519447479230e-03 0.0 -4.056095508170e-02 2.192215738780e-02 5*0.0 -6.245532211970e-02 8.086890434130e-03 0.0 4.222390351280e-02 -1.901630464130e-02
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5*0.0 4.615038675910e-02 -7.321225699760e-03 0.0 -3.965685435920e-02 2.136745091840e-02 5*0.0 -6.101095907010e-02 7.831147123390e-03 0.0 4.110086147250e-02 -1.846062231500e-02
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5*0.0 4.527154629600e-02 -7.127681405950e-03 0.0 -3.876940133080e-02 2.082502338470e-02 5*0.0 -5.959177973710e-02 7.582495931080e-03 0.0 4.000225921510e-02 -1.791907158010e-02
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5*0.0 4.440532531640e-02 -6.938717517600e-03 0.0 -3.789837366920e-02 2.029465154230e-02 5*0.0 -5.819756075650e-02 7.340768310150e-03 0.0 3.892771572550e-02 -1.739136814700e-02
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5*0.0 4.355163573410e-02 -6.754238687650e-03 0.0 -3.704354997160e-02 1.977611496110e-02 5*0.0 -5.682807388360e-02 7.105798983520e-03 0.0 3.787685182770e-02 -1.687723132520e-02
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5*0.0 4.271038763780e-02 -6.574151258450e-03 0.0 -3.620470979460e-02 1.926919602110e-02 5*0.0 -5.548308626060e-02 6.877425887370e-03 0.0 3.684929030400e-02 -1.637638405100e-02
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5*0.0 4.188148945210e-02 -6.398363257470e-03 0.0 -3.538163374280e-02 1.877367994790e-02 5*0.0 -5.416236075360e-02 6.655490141350e-03 0.0 3.584465602400e-02 -1.588855290930e-02
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5*0.0 4.106484790460e-02 -6.226784352470e-03 0.0 -3.457410344440e-02 1.828935471910e-02 5*0.0 -5.286565618260e-02 6.439835994070e-03 0.0 3.486257603890e-02 -1.541346808390e-02
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5*0.0 4.026036822260e-02 -6.059325841950e-03 0.0 -3.378190171040e-02 1.781601116320e-02 5*0.0 -5.159272766490e-02 6.230310792210e-03 0.0 3.390267975250e-02 -1.495086346010e-02
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5*0.0 3.946795415530e-02 -5.895900626130e-03 0.0 -3.300481251860e-02 1.735344290630e-02 5*0.0 -5.034332683110e-02 6.026764927410e-03 0.0 3.296459897430e-02 -1.450047655650e-02
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5*0.0 3.868750804810e-02 -5.736423184060e-03 0.0 -3.224262107580e-02 1.690144634200e-02 5*0.0 -4.911720213910e-02 5.829051805740e-03 0.0 3.204796806320e-02 -1.406204857450e-02
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5*0.0 3.791893095900e-02 -5.580809552770e-03 0.0 -3.149511389360e-02 1.645982068170e-02 5*0.0 -4.791409910370e-02 5.637027796700e-03 0.0 3.115242402370e-02 -1.363532439330e-02
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5*0.0 3.716212268070e-02 -5.428977299600e-03 0.0 -3.076207878320e-02 1.602836789200e-02 5*0.0 -4.673376054510e-02 5.450552193310e-03 0.0 3.027760657310e-02 -1.322005255460e-02
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5*0.0 3.641698186660e-02 -5.280845505340e-03 0.0 -3.004330496840e-02 1.560689273320e-02 5*0.0 -4.557592684590e-02 5.269487170790e-03 0.0 2.942315827090e-02 -1.281598527590e-02
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5*0.0 3.568340605080e-02 -5.136334735820e-03 0.0 -2.933858304410e-02 1.519520270010e-02 5*0.0 -4.444033617570e-02 5.093697743990e-03 0.0 2.858872457420e-02 -1.242287845510e-02
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5*0.0 3.496129176920e-02 -4.995367025840e-03 0.0 -2.864770510200e-02 1.479310805790e-02 5*0.0 -4.332672472120e-02 4.923051724280e-03 0.0 2.777395394160e-02 -1.204049165230e-02
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5*0.0 3.425053458320e-02 -4.857865851940e-03 0.0 -2.797046469870e-02 1.440042178390e-02 5*0.0 -4.223482690790e-02 4.757419678570e-03 0.0 2.697849788540e-02 -1.166858806940e-02
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5*0.0 3.355102916910e-02 -4.723756112190e-03 0.0 -2.730665692280e-02 1.401695959270e-02 5*0.0 -4.116437561200e-02 4.596674886370e-03 0.0 2.620201106300e-02 -1.130693457850e-02
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5*0.0 3.286266938350e-02 -4.592964108520e-03 0.0 -2.665607842940e-02 1.364253990120e-02 5*0.0 -4.011510237170e-02 4.440693299820e-03 0.0 2.544415133920e-02 -1.095530168430e-02
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5*0.0 3.218534830730e-02 -4.465417519120e-03 0.0 -2.601852745760e-02 1.327698380810e-02 5*0.0 -3.908673757020e-02 4.289353498340e-03 0.0 2.470457983980e-02 -1.061346350920e-02
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5*0.0 3.151895833250e-02 -4.341045381550e-03 0.0 -2.539380386900e-02 1.292011509450e-02 5*0.0 -3.807901065920e-02 4.142536652330e-03 0.0 2.398296103150e-02 -1.028119780010e-02
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5*0.0 3.086339119650e-02 -4.219778067680e-03 0.0 -2.478170918150e-02 1.257176019550e-02 5*0.0 -3.709165031510e-02 4.000126476700e-03 0.0 2.327896275370e-02 -9.958285891410e-03
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5*0.0 3.021853806840e-02 -4.101547270460e-03 0.0 -2.418204658710e-02 1.223174819450e-02 5*0.0 -3.612438464190e-02 3.862009195930e-03 0.0 2.259225629300e-02 -9.644512718030e-03
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5*0.0 2.958428957610e-02 -3.986285975670e-03 0.0 -2.359462096540e-02 1.189991078230e-02 5*0.0 -3.517694132450e-02 3.728073494840e-03 0.0 2.192251640490e-02 -9.339666750610e-03
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5*0.0 2.896053588210e-02 -3.873928446730e-03 0.0 -2.301923893670e-02 1.157608226330e-02 5*0.0 -3.424904781310e-02 3.598210487780e-03 0.0 2.126942137530e-02 -9.043540014820e-03
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5*0.0 2.834716672880e-02 -3.764410200690e-03 0.0 -2.245570885660e-02 1.126009952490e-02 5*0.0 -3.334043147720e-02 3.472313669230e-03 0.0 2.063265306520e-02 -8.755928062140e-03
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5*0.0 2.774407149530e-02 -3.657667992550e-03 0.0 -2.190384084290e-02 1.095180200520e-02 5*0.0 -3.245081976260e-02 3.350278880720e-03 0.0 2.001189692730e-02 -8.476629927910e-03
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5*0.0 2.715113925200e-02 -3.553639795530e-03 0.0 -2.136344681050e-02 1.065103170400e-02 5*0.0 -3.157994033980e-02 3.232004267500e-03 0.0 1.940684206450e-02 -8.205448149460e-03
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5*0.0 2.656825879450e-02 -3.452264776800e-03 0.0 -2.083434046020e-02 1.035763312280e-02 5*0.0 -3.072752125270e-02 3.117390241220e-03 0.0 1.881718123630e-02 -7.942188686120e-03
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5*0.0 2.599531870550e-02 -3.353483281770e-03 0.0 -2.031633731950e-02 1.007145328330e-02 5*0.0 -2.989329104540e-02 3.006339437320e-03 0.0 1.824261090270e-02 -7.686660940460e-03
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5*0.0 2.543220740390e-02 -3.257236819010e-03 0.0 -1.980925473940e-02 9.792341662790e-03 5*0.0 -2.907697891040e-02 2.898756680960e-03 0.0 1.768283124110e-02 -7.438677708550e-03
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5*0.0 2.487881317000e-02 -3.163468033510e-03 0.0 -1.931291190980e-02 9.520150209920e-03 5*0.0 -2.827831480120e-02 2.794548944730e-03 0.0 1.713754616360e-02 -7.198055158600e-03
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5*0.0 2.433502422200e-02 -3.072120694340e-03 0.0 -1.882712989380e-02 9.254733303060e-03 5*0.0 -2.749702956470e-02 2.693625312520e-03 0.0 1.660646334610e-02 -6.964612799580e-03
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5*0.0 2.380072873350e-02 -2.983139675630e-03 0.0 -1.835173160240e-02 8.995947724440e-03 5*0.0 -2.673285505860e-02 2.595896942510e-03 0.0 1.608929424010e-02 -6.738173460640e-03
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5*0.0 2.327581489140e-02 -2.896470936300e-03 0.0 -1.788654184020e-02 8.743652649120e-03 5*0.0 -2.598552425890e-02 2.501277027940e-03 0.0 1.558575407970e-02 -6.518563248520e-03
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5*0.0 2.276017091550e-02 -2.812061503030e-03 0.0 -1.743138727920e-02 8.497709612420e-03 5*0.0 -2.525477135580e-02 2.409680759190e-03 0.0 1.509556189120e-02 -6.305611519890e-03
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5*0.0 2.225368511990e-02 -2.729859453970e-03 0.0 -1.698609648820e-02 8.257982483520e-03 5*0.0 -2.454033188300e-02 2.321025291830e-03 0.0 1.461844051080e-02 -6.099150858930e-03
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5*0.0 2.175624594760e-02 -2.649813901900e-03 0.0 -1.655049993910e-02 8.024337454670e-03 5*0.0 -2.384194279420e-02 2.235229706230e-03 0.0 1.415411658230e-02 -5.899017036960e-03
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5*0.0 2.126774199340e-02 -2.571874972390e-03 0.0 -1.612443000080e-02 7.796643004800e-03 5*0.0 -2.315934256030e-02 2.152214971910e-03 0.0 1.370232056010e-02 -5.705048979530e-03
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5*0.0 2.078806206210e-02 -2.495993795290e-03 0.0 -1.570772094940e-02 7.574769872240e-03 5*0.0 -2.249227126700e-02 2.071903915610e-03 0.0 1.326278671730e-02 -5.517088737190e-03
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5*0.0 2.031709517540e-02 -2.422122477610e-03 0.0 -1.530020897380e-02 7.358591043340e-03 5*0.0 -2.184047068180e-02 1.994221181360e-03 0.0 1.283525312860e-02 -5.334981444520e-03
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5*0.0 1.851814874310e-02 -2.145811484820e-03 0.0 -1.375892255020e-02 6.548355468100e-03 5*0.0 -1.938087446460e-02 1.708328139450e-03 0.0 1.124001610210e-02 -4.662090706530e-03
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5*0.0 1.808909301480e-02 -2.081304366400e-03 0.0 -1.339500574380e-02 6.358819589340e-03 5*0.0 -1.880161859960e-02 1.642717989390e-03 0.0 1.086868805010e-02 -4.507030907390e-03
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5*0.0 1.766809122300e-02 -2.018539492540e-03 0.0 -1.303934332000e-02 6.174261567800e-03 5*0.0 -1.823612380240e-02 1.579320339320e-03 0.0 1.050786844550e-02 -4.356957794010e-03
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5*0.0 1.725503491490e-02 -1.957475400880e-03 0.0 -1.269178485620e-02 5.994569365300e-03 5*0.0 -1.768414570570e-02 1.518071628250e-03 0.0 1.015732184310e-02 -4.211737134140e-03
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5*0.0 1.684981612040e-02 -1.898071488410e-03 0.0 -1.235218183650e-02 5.819632988510e-03 5*0.0 -1.714544216430e-02 1.458909848980e-03 0.0 9.816816532390e-03 -4.071237509630e-03
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5*0.0 1.645232735550e-02 -1.840287988070e-03 0.0 -1.202038764360e-02 5.649344454250e-03 5*0.0 -1.661977330300e-02 1.401774517760e-03 0.0 9.486124512320e-03 -3.935330258090e-03
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5*0.0 1.568011265980e-02 -1.729427291950e-03 0.0 -1.137964875100e-02 5.322288885120e-03 5*0.0 -1.560659176560e-02 1.293348698860e-03 0.0 8.853286813100e-03 -3.676791852300e-03
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5*0.0 1.530517449000e-02 -1.676274644610e-03 0.0 -1.107042027740e-02 5.165315717150e-03 5*0.0 -1.511861110660e-02 1.241944586450e-03 0.0 8.550703530260e-03 -3.553916878370e-03
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5*0.0 1.493754192540e-02 -1.624591480520e-03 0.0 -1.076843307690e-02 5.012578075310e-03 5*0.0 -1.464272924370e-02 1.192339614450e-03 0.0 8.257058291420e-03 -3.435146561970e-03
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5*0.0 1.457711034210e-02 -1.574342026840e-03 0.0 -1.047354995950e-02 4.863977662300e-03 5*0.0 -1.417871830050e-02 1.144480462480e-03 0.0 7.972141360900e-03 -3.320365518240e-03
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5*0.0 1.422377575430e-02 -1.525491268730e-03 0.0 -1.018563559700e-02 4.719418034160e-03 5*0.0 -1.372635291010e-02 1.098315156750e-03 0.0 7.695746586270e-03 -3.209460899350e-03
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5*0.0 1.387743482140e-02 -1.478004934060e-03 0.0 -9.904556516510e-03 4.578804588520e-03 5*0.0 -1.328541023370e-02 1.053793041730e-03 0.0 7.427671357620e-03 -3.102322366000e-03
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5*0.0 1.353798489400e-02 -1.431849478140e-03 0.0 -9.630181102520e-03 4.442044528630e-03 5*0.0 -1.285567001300e-02 1.010864747470e-03 0.0 7.167716622370e-03 -2.998842042850e-03
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5*0.0 1.320532399060e-02 -1.386992075150e-03 0.0 -9.362379565040e-03 4.309046846980e-03 5*0.0 -1.243691454080e-02 9.694821678810e-04 0.0 6.915686794980e-03 -2.898914484520e-03
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5*0.0 1.287935087610e-02 -1.343400606340e-03 0.0 -9.101023963180e-03 4.179722293990e-03 5*0.0 -1.202892876420e-02 9.295984366980e-04 0.0 6.671389800870e-03 -2.802436639880e-03
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5*0.0 1.255996501010e-02 -1.301043638620e-03 0.0 -8.845988155300e-03 4.053983355350e-03 5*0.0 -1.163150022330e-02 8.911678899670e-04 0.0 6.434636973200e-03 -2.709307808620e-03
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5*0.0 1.224706658410e-02 -1.259890416090e-03 0.0 -8.597147812890e-03 3.931744224670e-03 5*0.0 -1.124441909150e-02 8.541460461130e-04 0.0 6.205243063510e-03 -2.619429605200e-03
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5*0.0 1.194055658350e-02 -1.219910854740e-03 0.0 -8.354380418890e-03 3.812920790630e-03 5*0.0 -1.086747822450e-02 8.184895832290e-04 0.0 5.983026221160e-03 -2.532705930410e-03
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5*0.0 1.164033671360e-02 -1.181075518150e-03 0.0 -8.117565223070e-03 3.697430581330e-03 5*0.0 -1.050047314380e-02 7.841563136550e-04 0.0 5.767807935060e-03 -2.449042925720e-03
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5*0.0 1.134630951740e-02 -1.143355616370e-03 0.0 -7.886583269350e-03 3.585192794270e-03 5*0.0 -1.014320202430e-02 7.511051481350e-04 0.0 5.559412995770e-03 -2.368348935960e-03
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5*0.0 1.105837830040e-02 -1.106722987570e-03 0.0 -7.661317361370e-03 3.476128209610e-03 5*0.0 -9.795465765470e-03 7.192960904050e-04 0.0 5.357669496350e-03 -2.290534473450e-03
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5*0.0 1.077644718510e-02 -1.071150090210e-03 0.0 -7.441652047260e-03 3.370159219530e-03 5*0.0 -9.457067926990e-03 6.886901947460e-04 0.0 5.162408763440e-03 -2.215512191980e-03
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5*0.0 1.050042111230e-02 -1.036609984340e-03 0.0 -7.227473619850e-03 3.267209753160e-03 5*0.0 -9.127814788450e-03 6.592495529230e-04 0.0 4.973465360350e-03 -2.143196834790e-03
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5*0.0 1.023020585170e-02 -1.003076328680e-03 0.0 -7.018670095890e-03 3.167205315620e-03 5*0.0 -8.807515310040e-03 6.309372695440e-04 0.0 4.790676991130e-03 -2.073505202670e-03
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5*0.0 9.965708009780e-03 -9.705233629990e-04 0.0 -6.815131211160e-03 3.070072902870e-03 5*0.0 -8.495981174610e-03 6.037174369130e-04 0.0 4.613884553870e-03 -2.006356129040e-03
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5*0.0 9.706835058730e-03 -9.389259068900e-04 0.0 -6.616748395960e-03 2.975741024500e-03 5*0.0 -8.193026755160e-03 5.775551149870e-04 0.0 4.442932019300e-03 -1.941670430980e-03
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5*0.0 9.453495312700e-03 -9.082593387590e-04 0.0 -6.423414756960e-03 2.884139625750e-03 5*0.0 -7.898469121250e-03 5.524163088320e-04 0.0 4.277666437460e-03 -1.879370878520e-03
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5*0.0 9.205597942370e-03 -8.784995789760e-04 0.0 -6.235025101330e-03 2.795200137180e-03 5*0.0 -7.612128029240e-03 5.282679429740e-04 0.0 4.117937894280e-03 -1.819382160540e-03
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5*0.0 8.963053053360e-03 -8.496231102690e-04 0.0 -6.051475877000e-03 2.708855409340e-03 5*0.0 -7.333825942710e-03 5.050778491750e-04 0.0 3.963599493050e-03 -1.761630851610e-03
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5*0.0 8.725771542880e-03 -8.216069217400e-04 0.0 -5.872665162740e-03 2.625039665960e-03 5*0.0 -7.063387997620e-03 4.828147369170e-04 0.0 3.814507273610e-03 -1.706045372470e-03
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5*0.0 8.493665263760e-03 -7.944285419710e-04 0.0 -5.698492691340e-03 2.543688536680e-03 5*0.0 -6.800642005200e-03 4.614481795440e-04 0.0 3.670520219520e-03 -1.652555956990e-03
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5*0.0 8.266646961460e-03 -7.680660037540e-04 0.0 -5.528859812150e-03 2.464739015010e-03 5*0.0 -6.545418435710e-03 4.409485855280e-04 0.0 3.531500195170e-03 -1.601094625600e-03
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5*0.0 8.044630233900e-03 -7.424978339570e-04 0.0 -5.363669455950e-03 2.388129403080e-03 5*0.0 -6.297550425940e-03 4.212871904810e-04 0.0 3.397311919320e-03 -1.551595139140e-03
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5*0.0 7.827529627740e-03 -7.177030567230e-04 0.0 -5.202826149340e-03 2.313799344140e-03 5*0.0 -6.056873748980e-03 4.024360283660e-04 0.0 3.267822914230e-03 -1.503992975570e-03
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5*0.0 7.615260579970e-03 -6.936611783070e-04 0.0 -5.046235992530e-03 2.241689746740e-03 5*0.0 -5.823226807420e-03 3.843679164210e-04 0.0 3.142903492820e-03 -1.458225290650e-03
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5*0.0 7.407739446430e-03 -6.703521749490e-04 0.0 -4.893806626950e-03 2.171742796800e-03 5*0.0 -5.596450618100e-03 3.670564369000e-04 0.0 3.022426683000e-03 -1.414230890750e-03
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5*0.0 7.204883505600e-03 -6.477564856700e-04 0.0 -4.745447252000e-03 2.103901953450e-03 5*0.0 -5.376388807770e-03 3.504759177530e-04 0.0 2.906268237410e-03 -1.371950196750e-03
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5*0.0 7.006610955050e-03 -6.258550029080e-04 0.0 -4.601068593450e-03 2.038111882580e-03 5*0.0 -5.162887591490e-03 3.346014164740e-04 0.0 2.794306555390e-03 -1.331325212560e-03
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5*0.0 6.812840887800e-03 -6.046290603120e-04 0.0 -4.460582859800e-03 1.974318450730e-03 5*0.0 -4.955795732990e-03 3.194086967240e-04 0.0 2.686422657010e-03 -1.292299495460e-03
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5*0.0 6.623493372870e-03 -5.840604355520e-04 0.0 -4.323903786160e-03 1.912468727950e-03 5*0.0 -4.754964577170e-03 3.048742222530e-04 0.0 2.582500158290e-03 -1.254818121610e-03
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5*0.0 6.438489360510e-03 -5.641313232410e-04 0.0 -4.190946553420e-03 1.852510934710e-03 5*0.0 -4.560247975350e-03 2.909751272260e-04 0.0 2.482425208840e-03 -1.218827657440e-03
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5*0.0 6.257750756800e-03 -5.448243436610e-04 0.0 -4.061627834030e-03 1.794394454470e-03 5*0.0 -4.371502309640e-03 2.776892096110e-04 0.0 2.386086477230e-03 -1.184276129520e-03
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5*0.0 6.081200363440e-03 -5.261225188110e-04 0.0 -3.935865724360e-03 1.738069788810e-03 5*0.0 -4.188586449970e-03 2.649949096630e-04 0.0 2.293375099230e-03 -1.151112993080e-03
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5*0.0 5.908761966360e-03 -5.080092860260e-04 0.0 -3.813579765200e-03 1.683488543980e-03 5*0.0 -4.011361747040e-03 2.528712969530e-04 0.0 2.204184645250e-03 -1.119289101920e-03
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5*0.0 5.740360220250e-03 -4.904684623080e-04 0.0 -3.694690892250e-03 1.630603407030e-03 5*0.0 -3.839691998200e-03 2.412980530240e-04 0.0 2.118411082840e-03 -1.088756681160e-03
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5*0.0 5.575920767780e-03 -4.734842589680e-04 0.0 -3.579121476850e-03 1.579368158290e-03 5*0.0 -3.673443440260e-03 2.302554577640e-04 0.0 2.035952743290e-03 -1.059469294630e-03
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5*0.0 5.415370136300e-03 -4.570412609020e-04 0.0 -3.466795227410e-03 1.529737592810e-03 5*0.0 -3.512484714660e-03 2.197243723980e-04 0.0 1.956710266990e-03 -1.031381820650e-03
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5*0.0 5.258635780210e-03 -4.411244215120e-04 0.0 -3.357637242230e-03 1.481667558940e-03 5*0.0 -3.356686840560e-03 2.096862263670e-04 0.0 1.880586575490e-03 -1.004450420010e-03
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5*0.0 5.105646124280e-03 -4.257190630730e-04 0.0 -3.251573969970e-03 1.435114905510e-03 5*0.0 -3.205923211960e-03 2.001230012670e-04 0.0 1.807486852600e-03 -9.786325107470e-04
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5*0.0 4.956330474100e-03 -4.108108562680e-04 0.0 -3.148533189780e-03 1.390037489200e-03 5*0.0 -3.060069562840e-03 1.910172220620e-04 0.0 1.737318481970e-03 -9.538867394130e-04
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5*0.0 4.810619068100e-03 -3.963858182320e-04 0.0 -3.048443991220e-03 1.346394115600e-03 5*0.0 -2.919003935760e-03 1.823519357940e-04 0.0 1.669991024630e-03 -9.301729516350e-04
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5*0.0 4.668443083450e-03 -3.824303158020e-04 0.0 -2.951236771320e-03 1.304144568060e-03 5*0.0 -2.782606664390e-03 1.741107045550e-04 0.0 1.605416165770e-03 -9.074521709580e-04
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5*0.0 4.529734600200e-03 -3.689310394100e-04 0.0 -2.856843217350e-03 1.263249561180e-03 5*0.0 -2.650760355310e-03 1.662775881160e-04 0.0 1.543507714400e-03 -8.856865701510e-04
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5*0.0 4.394426611790e-03 -3.558750082200e-04 0.0 -2.765196276690e-03 1.223670733070e-03 5*0.0 -2.523349849170e-03 1.588371345820e-04 0.0 1.484181516260e-03 -8.648394397970e-04
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5*0.0 4.262453048530e-03 -3.432495654260e-04 0.0 -2.676230161540e-03 1.185370625830e-03 5*0.0 -2.400262209350e-03 1.517743659950e-04 0.0 1.427355471650e-03 -8.448751729040e-04
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5*0.0 4.133748715800e-03 -3.310423601770e-04 0.0 -2.589880309440e-03 1.148312678670e-03 5*0.0 -2.281386673300e-03 1.450747623170e-04 0.0 1.372949453520e-03 -8.257592315120e-04
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5*0.0 4.008249330090e-03 -3.192413485890e-04 0.0 -2.506083369950e-03 1.112461170230e-03 5*0.0 -2.166614656820e-03 1.387242578410e-04 0.0 1.320885303300e-03 -8.074581252840e-04
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5*0.0 3.885891541310e-03 -3.078347913980e-04 0.0 -2.424777236400e-03 1.077781278920e-03 5*0.0 -2.055839708590e-03 1.327092240230e-04 0.0 1.271086782100e-03 -7.899393879880e-04
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5*0.0 3.766612859130e-03 -2.968112369490e-04 0.0 -2.345900947110e-03 1.044238978970e-03 5*0.0 -1.948957485720e-03 1.270164562600e-04 0.0 1.223479543150e-03 -7.731715504880e-04
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5*0.0 3.650351707720e-03 -2.861595219820e-04 0.0 -2.269394740890e-03 1.011801094770e-03 5*0.0 -1.845865729660e-03 1.216331683160e-04 0.0 1.177991090380e-03 -7.571241205830e-04
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5*0.0 3.537047391350e-03 -2.758687653440e-04 0.0 -2.195200003470e-03 9.804352356150e-04 5*0.0 -1.746464244450e-03 1.165469752550e-04 0.0 1.134550749580e-03 -7.417675570250e-04
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5*0.0 3.426640099480e-03 -2.659283587060e-04 0.0 -2.123259264660e-03 9.501098189520e-04 5*0.0 -1.650654853120e-03 1.117458876060e-04 0.0 1.093089626330e-03 -7.270732491600e-04
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5*0.0 3.319070905990e-03 -2.563279635900e-04 0.0 -2.053516181890e-03 9.207940313540e-04 5*0.0 -1.558341393230e-03 1.072182977240e-04 0.0 1.053540591870e-03 -7.130134926640e-04
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5*0.0 3.214281751410e-03 -2.470575029490e-04 0.0 -1.985915522640e-03 8.924578095360e-04 5*0.0 -1.469429673850e-03 1.029529706920e-04 0.0 1.015838229130e-03 -6.995614683350e-04
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5*0.0 3.112215443530e-03 -2.381071580920e-04 0.0 -1.920403142020e-03 8.650718409690e-04 5*0.0 -1.383827451570e-03 9.893903486480e-05 0.0 9.799188059380e-04 -6.866912197840e-04
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5*0.0 3.012815654320e-03 -2.294673594710e-04 0.0 -1.856925985430e-03 8.386075439280e-04 5*0.0 -1.301444409350e-03 9.516597121340e-05 0.0 9.457202521470e-04 -6.743776335010e-04
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5*0.0 2.916026921750e-03 -2.211287879610e-04 0.0 -1.795432057160e-03 8.130370526700e-04 5*0.0 -1.222192122700e-03 9.162360305470e-05 0.0 9.131821162040e-04 -6.625964158380e-04
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5*0.0 2.821794616310e-03 -2.130823585810e-04 0.0 -1.735870407930e-03 7.883331969120e-04 5*0.0 -1.145984034160e-03 8.830208846100e-05 0.0 8.822455421910e-04 -6.513240745920e-04
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5*0.0 2.730064965440e-03 -2.053192259270e-04 0.0 -1.678191123200e-03 7.644694917660e-04 5*0.0 -1.072735430720e-03 8.519191032790e-05 0.0 8.528532295680e-04 -6.405378974870e-04
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5*0.0 2.640785048080e-03 -1.978307752100e-04 0.0 -1.622345314100e-03 7.414201403400e-04 5*0.0 -1.002363406610e-03 8.228386632290e-05 0.0 8.249494079200e-04 -6.302159337620e-04
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5*0.0 2.307132851420e-03 -1.704592039500e-04 0.0 -1.416353670870e-03 6.568727687980e-04 5*0.0 -7.480450203020e-04 7.249956460430e-05 0.0 7.271554869440e-04 -5.931567271740e-04
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5*0.0 2.229336401540e-03 -1.642225978930e-04 0.0 -1.368976372140e-03 6.375305887770e-04 5*0.0 -6.908739428340e-04 7.047461652850e-05 0.0 7.059089947700e-04 -5.848518403620e-04
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5*0.0 2.153689305920e-03 -1.582135206720e-04 0.0 -1.323159716570e-03 6.188612660710e-04 5*0.0 -6.361186000920e-04 6.860274749040e-05 0.0 6.858468062280e-04 -5.768943679820e-04
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5*0.0 2.080144314100e-03 -1.524248264610e-04 0.0 -1.278861519620e-03 6.008433244760e-04 5*0.0 -5.837080333180e-04 6.687673373040e-05 0.0 6.669230247290e-04 -5.692671593830e-04
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5*0.0 1.939175546610e-03 -1.414809535600e-04 0.0 -1.194656256730e-03 5.666785094320e-04 5*0.0 -4.856453427290e-04 6.383461929190e-05 0.0 6.323135330300e-04 -5.549379883410e-04
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|
||||
5*0.0 4.756022286750e-05 -2.231822027500e-05 0.0 -2.124581573660e-04 1.312640353620e-04 5*0.0 5.712788679620e-05 6.809917235010e-05 0.0 4.970198850240e-04 -2.780517845300e-04
|
||||
5*0.0 4.460184720310e-05 -2.217303793350e-05 0.0 -2.111992664000e-04 1.295339599890e-04 5*0.0 4.993643916620e-05 6.806824585560e-05 0.0 4.971627513460e-04 -2.743978842850e-04
|
||||
5*0.0 4.185963693330e-05 -2.203450805110e-05 0.0 -2.100070939140e-04 1.278224640960e-04 5*0.0 4.274059200920e-05 6.802220854550e-05 0.0 4.972173502630e-04 -2.707286977280e-04
|
||||
5*0.0 3.932531972160e-05 -2.190214019940e-05 0.0 -2.088771655730e-04 1.261283333130e-04 5*0.0 3.554670208600e-05 6.796115364740e-05 0.0 4.971829599140e-04 -2.670448953210e-04
|
||||
5*0.0 3.699085212900e-05 -2.177546526110e-05 0.0 -2.078051778740e-04 1.244504171560e-04 5*0.0 2.836085634450e-05 6.788518673940e-05 0.0 4.970589887050e-04 -2.633471669230e-04
|
||||
5*0.0 3.484840949080e-05 -2.165403489100e-05 0.0 -2.067869889430e-04 1.227876276050e-04 5*0.0 2.118888648030e-05 6.779442524450e-05 0.0 4.968449609410e-04 -2.596362204920e-04
|
||||
5*0.0 3.289038347260e-05 -2.153742073400e-05 0.0 -2.058186166070e-04 1.211389349000e-04 5*0.0 1.403637476080e-05 6.768899747780e-05 0.0 4.965405163600e-04 -2.559127810140e-04
|
||||
5*0.0 3.110937630140e-05 -2.142521347200e-05 0.0 -2.048962324010e-04 1.195033675230e-04 5*0.0 6.908659151550e-06 6.756904191080e-05 0.0 4.961454026030e-04 -2.521775879690e-04
|
||||
5*0.0 2.949819653790e-05 -2.131702282680e-05 0.0 -2.040161583120e-04 1.178800082650e-04 5*0.0 -1.891563468790e-07 6.743470726100e-05 0.0 4.956594732370e-04 -2.484313939390e-04
|
||||
5*0.0 2.804985665600e-05 -2.121247626050e-05 0.0 -2.031748634570e-04 1.162679944390e-04 5*0.0 -7.252199025210e-06 6.728615087130e-05 0.0 4.950826824680e-04 -2.446749631690e-04
|
||||
5*0.0 2.675756660860e-05 -2.111121889350e-05 0.0 -2.023689594480e-04 1.146665146120e-04 5*0.0 -1.427581885890e-05 6.712353922140e-05 0.0 4.944150790760e-04 -2.409090709630e-04
|
||||
5*0.0 2.561472801420e-05 -2.101291270750e-05 0.0 -2.015951920960e-04 1.130747997150e-04 5*0.0 -2.125557749990e-05 6.694704619770e-05 0.0 4.936568022730e-04 -2.371345020830e-04
|
||||
5*0.0 2.461493697360e-05 -2.091723664910e-05 0.0 -2.008504506710e-04 1.114921442940e-04 5*0.0 -2.818725259130e-05 6.675685392350e-05 0.0 4.928080818430e-04 -2.333520474570e-04
|
||||
5*0.0 2.375196739360e-05 -2.082388344380e-05 0.0 -2.001317433630e-04 1.099178732530e-04 5*0.0 -3.506682259730e-05 6.655315156150e-05 0.0 4.918692284540e-04 -2.295625046920e-04
|
||||
5*0.0 2.301978089380e-05 -2.073256265920e-05 0.0 -1.994362187170e-04 1.083513634410e-04 5*0.0 -4.189045744230e-05 6.633613355780e-05 0.0 4.908406329870e-04 -2.257666793180e-04
|
||||
5*0.0 2.241251190370e-05 -2.064299905090e-05 0.0 -1.987611326310e-04 1.067920243960e-04 5*0.0 -4.865452798380e-05 6.610600199270e-05 0.0 4.897227623280e-04 -2.219653776260e-04
|
||||
5*0.0 2.192447278240e-05 -2.055492956820e-05 0.0 -1.981038760170e-04 1.052393246850e-04 5*0.0 -5.535558753760e-05 6.586296428030e-05 0.0 4.885161553850e-04 -2.181594111090e-04
|
||||
5*0.0 2.155013445610e-05 -2.046810598850e-05 0.0 -1.974619438160e-04 1.036927509040e-04 5*0.0 -6.199036365970e-05 6.560723192620e-05 0.0 4.872214178340e-04 -2.143495918180e-04
|
||||
5*0.0 2.128415281810e-05 -2.038229386310e-05 0.0 -1.968329583730e-04 1.021518433890e-04 5*0.0 -6.855576825120e-05 6.533902255500e-05 0.0 4.858392247240e-04 -2.105367351140e-04
|
||||
5*0.0 2.112132102160e-05 -2.029726973180e-05 0.0 -1.962146348200e-04 1.006161673860e-04 5*0.0 -7.504887280810e-05 6.505855747000e-05 0.0 4.843703068440e-04 -2.067216540690e-04
|
||||
5*0.0 2.105661185940e-05 -2.021282442170e-05 0.0 -1.956048077770e-04 9.908533329690e-05 5*0.0 -8.146691835940e-05 6.476606162810e-05 0.0 4.828154574210e-04 -2.029051626810e-04
|
||||
5*0.0 2.108513969080e-05 -2.012875898350e-05 0.0 -1.950014059050e-04 9.755897233390e-05 5*0.0 -8.780730642590e-05 6.446176509030e-05 0.0 4.811755257200e-04 -1.990880709930e-04
|
||||
5*0.0 2.120217352790e-05 -2.004488673550e-05 0.0 -1.944024661300e-04 9.603675650830e-05 5*0.0 -9.406758524940e-05 6.414589920060e-05 0.0 4.794514110110e-04 -1.952711898010e-04
|
||||
5*0.0 2.140312898960e-05 -1.996103127810e-05 0.0 -1.938061172190e-04 9.451838539670e-05 5*0.0 -1.002454566660e-04 6.381869954810e-05 0.0 4.776440618040e-04 -1.914553243740e-04
|
||||
5*0.0 2.168356698950e-05 -1.987702747710e-05 0.0 -1.932105835150e-04 9.300358801370e-05 5*0.0 -1.063387647930e-04 6.348040374030e-05 0.0 4.757544737670e-04 -1.876412764970e-04
|
||||
5*0.0 2.203918441030e-05 -1.979271980690e-05 0.0 -1.926141770960e-04 9.149211874760e-05 5*0.0 -1.123455006560e-04 6.313125324120e-05 0.0 4.737836899470e-04 -1.838298424500e-04
|
||||
5*0.0 2.246582036370e-05 -1.970796276830e-05 0.0 -1.920153049260e-04 8.998376144210e-05 5*0.0 -1.182637742350e-04 6.277148823520e-05 0.0 4.717327856250e-04 -1.800218154550e-04
|
||||
5*0.0 2.295944545780e-05 -1.962262021860e-05 0.0 -1.914124559400e-04 8.847832466090e-05 5*0.0 -1.240918406400e-04 6.240135370090e-05 0.0 4.696028855120e-04 -1.762179804440e-04
|
||||
5*0.0 2.351615878930e-05 -1.953656519220e-05 0.0 -1.908041983640e-04 8.697563651150e-05 5*0.0 -1.298280744090e-04 6.202109440610e-05 0.0 4.673951404180e-04 -1.724191171400e-04
|
||||
5*0.0 2.413219493880e-05 -1.944967976130e-05 0.0 -1.901891900850e-04 8.547556013760e-05 5*0.0 -1.354709756420e-04 6.163095721180e-05 0.0 4.651107417950e-04 -1.686259966740e-04
|
||||
101
tests/DFTB/nonscc/fc
Normal file
101
tests/DFTB/nonscc/fc
Normal file
|
|
@ -0,0 +1,101 @@
|
|||
0.1 100
|
||||
0.0 0.0 0.205174 -0.503566 0.656893 -0.416591 0.112599 0.0 0.0 3.5 4.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 1.29165 2.00514 0.0 0.26732 1.42469 5*0.0 -0.74274 -0.87578 0.0 -0.25894 -0.80946
|
||||
5*0.0 0.91135 1.82385 0.0 0.48922 1.24115 5*0.0 -0.64719 -0.83977 0.0 -0.32258 -0.78547
|
||||
5*0.0 0.57377 1.64295 0.0 0.69196 1.15993 5*0.0 -0.54463 -0.79919 0.0 -0.38167 -0.76316
|
||||
5*0.0 0.28834 1.46918 0.0 0.85957 1.13249 5*0.0 -0.43968 -0.75533 0.0 -0.43432 -0.74186
|
||||
5*0.0 0.05606 1.30652 0.0 0.98658 1.12667 5*0.0 -0.33611 -0.70937 0.0 -0.47917 -0.72062
|
||||
5*0.0 -0.12678 1.15699 0.0 1.07377 1.12358 5*0.0 -0.23688 -0.66233 0.0 -0.51540 -0.69857
|
||||
5*0.0 -0.26607 1.02131 0.0 1.12522 1.11352 5*0.0 -0.14414 -0.61509 0.0 -0.54272 -0.67508
|
||||
5*0.0 -0.36841 0.89937 0.0 1.14636 1.09263 5*0.0 -0.05940 -0.56836 0.0 -0.56123 -0.64977
|
||||
5*0.0 -0.44027 0.79054 0.0 1.14291 1.06042 5*0.0 0.01640 -0.52272 0.0 -0.57138 -0.62254
|
||||
5*0.0 -0.48751 0.69390 0.0 1.12024 1.01818 5*0.0 0.08282 -0.47864 0.0 -0.57382 -0.59348
|
||||
5*0.0 -0.51525 0.60842 0.0 1.08310 0.96796 5*0.0 0.13973 -0.43645 0.0 -0.56936 -0.56286
|
||||
5*0.0 -0.52778 0.53302 0.0 1.03553 0.91201 5*0.0 0.18734 -0.39640 0.0 -0.55889 -0.53100
|
||||
5*0.0 -0.52867 0.46664 0.0 0.98088 0.85246 5*0.0 0.22603 -0.35866 0.0 -0.54332 -0.49831
|
||||
5*0.0 -0.52080 0.40828 0.0 0.92182 0.79117 5*0.0 0.25638 -0.32333 0.0 -0.52356 -0.46522
|
||||
5*0.0 -0.50648 0.35704 0.0 0.86047 0.72965 5*0.0 0.27903 -0.29046 0.0 -0.50049 -0.43211
|
||||
5*0.0 -0.48753 0.31207 0.0 0.79848 0.66913 5*0.0 0.29471 -0.26005 0.0 -0.47490 -0.39937
|
||||
5*0.0 -0.46539 0.27264 0.0 0.73711 0.61051 5*0.0 0.30418 -0.23205 0.0 -0.44754 -0.36733
|
||||
5*0.0 -0.44119 0.23806 0.0 0.67728 0.55446 5*0.0 0.30821 -0.20640 0.0 -0.41907 -0.33628
|
||||
5*0.0 -0.41580 0.20776 0.0 0.61966 0.50144 5*0.0 0.30755 -0.18301 0.0 -0.39006 -0.30647
|
||||
5*0.0 -0.38988 0.18121 0.0 0.56475 0.45172 5*0.0 0.30293 -0.16176 0.0 -0.36101 -0.27806
|
||||
5*0.0 -0.36394 0.15796 0.0 0.51283 0.40546 5*0.0 0.29502 -0.14256 0.0 -0.33233 -0.25121
|
||||
5*0.0 -0.33838 0.13760 0.0 0.46410 0.36270 5*0.0 0.28447 -0.12526 0.0 -0.30437 -0.22601
|
||||
5*0.0 -0.31348 0.11977 0.0 0.41865 0.32341 5*0.0 0.27186 -0.10974 0.0 -0.27741 -0.20252
|
||||
5*0.0 -0.28944 0.10417 0.0 0.37649 0.28749 5*0.0 0.25771 -0.09586 0.0 -0.25165 -0.18076
|
||||
5*0.0 -0.26643 0.09053 0.0 0.33758 0.25482 5*0.0 0.24250 -0.08350 0.0 -0.22726 -0.16071
|
||||
5*0.0 -0.24453 0.07860 0.0 0.30183 0.22522 5*0.0 0.22662 -0.07253 0.0 -0.20434 -0.14236
|
||||
5*0.0 -0.22381 0.06818 0.0 0.26911 0.19852 5*0.0 0.21044 -0.06283 0.0 -0.18296 -0.12564
|
||||
5*0.0 -0.20431 0.05908 0.0 0.23930 0.17453 5*0.0 0.19425 -0.05428 0.0 -0.16315 -0.11048
|
||||
5*0.0 -0.18603 0.05113 0.0 0.21222 0.15304 5*0.0 0.17830 -0.04676 0.0 -0.14491 -0.09682
|
||||
5*0.0 -0.16897 0.04421 0.0 0.18772 0.13386 5*0.0 0.16278 -0.04018 0.0 -0.12822 -0.08455
|
||||
5*0.0 -0.15310 0.03818 0.0 0.16563 0.11679 5*0.0 0.14787 -0.03443 0.0 -0.11301 -0.07359
|
||||
5*0.0 -0.13839 0.03292 0.0 0.14577 0.10166 5*0.0 0.13366 -0.02942 0.0 -0.09925 -0.06383
|
||||
5*0.0 -0.12479 0.02836 0.0 0.12798 0.08827 5*0.0 0.12026 -0.02508 0.0 -0.08685 -0.05519
|
||||
5*0.0 -0.11227 0.02439 0.0 0.11208 0.07647 5*0.0 0.10772 -0.02133 0.0 -0.07573 -0.04757
|
||||
5*0.0 -0.10076 0.02095 0.0 0.09791 0.06609 5*0.0 0.09607 -0.01809 0.0 -0.06580 -0.04087
|
||||
5*0.0 -0.09022 0.01796 0.0 0.08534 0.05698 5*0.0 0.08533 -0.01530 0.0 -0.05698 -0.03500
|
||||
5*0.0 -0.08060 0.01538 0.0 0.07419 0.04902 5*0.0 0.07547 -0.01291 0.0 -0.04918 -0.02989
|
||||
5*0.0 -0.07183 0.01315 0.0 0.06435 0.04208 5*0.0 0.06649 -0.01086 0.0 -0.04231 -0.02544
|
||||
5*0.0 -0.06386 0.01122 0.0 0.05569 0.03603 5*0.0 0.05836 -0.00912 0.0 -0.03628 -0.02159
|
||||
5*0.0 -0.05664 0.00956 0.0 0.04807 0.03079 5*0.0 0.05102 -0.00764 0.0 -0.03101 -0.01827
|
||||
5*0.0 -0.05012 0.00813 0.0 0.04140 0.02625 5*0.0 0.04445 -0.00638 0.0 -0.02642 -0.01542
|
||||
5*0.0 -0.04423 0.00690 0.0 0.03557 0.02233 5*0.0 0.03858 -0.00532 0.0 -0.02244 -0.01297
|
||||
5*0.0 -0.03895 0.00585 0.0 0.03049 0.01895 5*0.0 0.03337 -0.00442 0.0 -0.01901 -0.01088
|
||||
5*0.0 -0.03421 0.00495 0.0 0.02608 0.01605 5*0.0 0.02877 -0.00367 0.0 -0.01605 -0.00910
|
||||
5*0.0 -0.02997 0.00418 0.0 0.02225 0.01356 5*0.0 0.02471 -0.00303 0.0 -0.01351 -0.00759
|
||||
5*0.0 -0.02619 0.00352 0.0 0.01894 0.01143 5*0.0 0.02116 -0.00250 0.0 -0.01135 -0.00632
|
||||
5*0.0 -0.02283 0.00296 0.0 0.01608 0.00961 5*0.0 0.01806 -0.00206 0.0 -0.00950 -0.00524
|
||||
5*0.0 -0.01985 0.00248 0.0 0.01363 0.00807 5*0.0 0.01536 -0.00170 0.0 -0.00793 -0.00434
|
||||
5*0.0 -0.01721 0.00208 0.0 0.01152 0.00676 5*0.0 0.01303 -0.00139 0.0 -0.00660 -0.00358
|
||||
5*0.0 -0.01489 0.00174 0.0 0.00972 0.00564 5*0.0 0.01101 -0.00114 0.0 -0.00549 -0.00295
|
||||
5*0.0 -0.01284 0.00145 0.0 0.00817 0.00471 5*0.0 0.00928 -0.00093 0.0 -0.00454 -0.00242
|
||||
5*0.0 -0.01105 0.00121 0.0 0.00686 0.00391 5*0.0 0.00780 -0.00076 0.0 -0.00376 -0.00198
|
||||
5*0.0 -0.00948 0.00100 0.0 0.00575 0.00325 5*0.0 0.00654 -0.00062 0.0 -0.00310 -0.00162
|
||||
5*0.0 -0.00812 0.00083 0.0 0.00480 0.00269 5*0.0 0.00547 -0.00050 0.0 -0.00255 -0.00132
|
||||
5*0.0 -0.00693 0.00069 0.0 0.00401 0.00222 5*0.0 0.00456 -0.00041 0.0 -0.00209 -0.00107
|
||||
5*0.0 -0.00590 0.00057 0.0 0.00333 0.00183 5*0.0 0.00379 -0.00033 0.0 -0.00171 -0.00087
|
||||
5*0.0 -0.00501 0.00047 0.0 0.00277 0.00151 5*0.0 0.00315 -0.00026 0.0 -0.00140 -0.00071
|
||||
5*0.0 -0.00424 0.00038 0.0 0.00229 0.00124 5*0.0 0.00261 -0.00021 0.0 -0.00114 -0.00057
|
||||
5*0.0 -0.00358 0.00031 0.0 0.00189 0.00101 5*0.0 0.00215 -0.00017 0.0 -0.00093 -0.00046
|
||||
5*0.0 -0.00302 0.00026 0.0 0.00156 0.00083 5*0.0 0.00178 -0.00014 0.0 -0.00076 -0.00037
|
||||
5*0.0 -0.00254 0.00021 0.0 0.00128 0.00068 5*0.0 0.00146 -0.00011 0.0 -0.00061 -0.00030
|
||||
5*0.0 -0.00212 0.00017 0.0 0.00105 0.00055 5*0.0 0.00120 -0.00009 0.0 -0.00050 -0.00024
|
||||
5*0.0 -0.00178 0.00014 0.0 0.00086 0.00045 5*0.0 0.00099 -0.00007 0.0 -0.00040 -0.00019
|
||||
5*0.0 -0.00148 0.00011 0.0 0.00070 0.00036 5*0.0 0.00081 -0.00006 0.0 -0.00032 -0.00015
|
||||
5*0.0 -0.00123 0.00009 0.0 0.00057 0.00030 5*0.0 0.00067 -0.00004 0.0 -0.00026 -0.00012
|
||||
5*0.0 -0.00102 0.00007 0.0 0.00047 0.00024 5*0.0 0.00055 -0.00003 0.0 -0.00021 -0.00010
|
||||
5*0.0 -0.00085 0.00006 0.0 0.00038 0.00019 5*0.0 0.00045 -0.00003 0.0 -0.00017 -0.00008
|
||||
5*0.0 -0.00070 0.00005 0.0 0.00030 0.00016 5*0.0 0.00037 -0.00002 0.0 -0.00013 -0.00006
|
||||
5*0.0 -0.00058 0.00004 0.0 0.00024 0.00012 5*0.0 0.00030 -0.00002 0.0 -0.00010 -0.00005
|
||||
5*0.0 -0.00047 0.00003 0.0 0.00020 0.00010 5*0.0 0.00025 -0.00001 0.0 -0.00008 -0.00004
|
||||
5*0.0 -0.00039 0.00002 0.0 0.00016 0.00008 5*0.0 0.00020 -0.00001 0.0 -0.00006 -0.00003
|
||||
5*0.0 -0.00032 0.00002 0.0 0.00012 0.00006 5*0.0 0.00016 -0.00001 0.0 -0.00004 -0.00002
|
||||
5*0.0 -0.00026 0.00001 0.0 0.00010 0.00005 5*0.0 0.00013 2*0.0 -0.00003 -0.00002
|
||||
5*0.0 -0.00021 0.00001 0.0 0.00007 0.00004 5*0.0 0.00011 2*0.0 -0.00002 -0.00001
|
||||
5*0.0 -0.00017 0.00001 0.0 0.00006 0.00003 5*0.0 0.00009 2*0.0 -0.00001 -0.00001
|
||||
5*0.0 -0.00014 0.00001 0.0 0.00004 0.00003 5*0.0 0.00007 2*0.0 -0.00001 -0.00001
|
||||
5*0.0 -0.00011 0.00001 0.0 0.00003 0.00002 5*0.0 0.00006 4*0.0
|
||||
5*0.0 -0.00009 2*0.0 0.00002 0.00002 5*0.0 0.00004 4*0.0
|
||||
5*0.0 -0.00007 2*0.0 0.00001 0.00001 5*0.0 0.00003 2*0.0 0.00001 0.0
|
||||
5*0.0 -0.00006 2*0.0 0.00001 0.00001 5*0.0 0.00002 2*0.0 0.00001 0.0
|
||||
5*0.0 -0.00005 3*0.0 0.00001 5*0.0 0.00002 2*0.0 0.00001 0.0
|
||||
5*0.0 -0.00004 9*0.0 0.00001 2*0.0 0.00001 0.0
|
||||
5*0.0 -0.00003 9*0.0 0.00001 2*0.0 0.00001 0.0
|
||||
5*0.0 -0.00002 12*0.0 0.00001 0.0
|
||||
5*0.0 -0.00002 2*0.0 -0.00001 9*0.0 0.00001 0.0
|
||||
5*0.0 -0.00001 2*0.0 -0.00001 6*0.0 -0.00001 2*0.0 0.00001 0.0
|
||||
5*0.0 -0.00001 2*0.0 -0.00001 6*0.0 -0.00001 2*0.0 0.00001 0.0
|
||||
5*0.0 -0.00001 2*0.0 -0.00001 6*0.0 -0.00001 2*0.0 0.00001 0.0
|
||||
8*0.0 -0.00001 6*0.0 -0.00001 2*0.0 0.00001 0.0
|
||||
8*0.0 -0.00001 6*0.0 -0.00001 2*0.0 0.00001 0.0
|
||||
8*0.0 -0.00001 6*0.0 -0.00001 2*0.0 0.00001 0.0
|
||||
8*0.0 -0.00001 6*0.0 -0.00002 2*0.0 0.00001 0.0
|
||||
8*0.0 -0.00001 6*0.0 -0.00002 2*0.0 0.00001 0.0
|
||||
8*0.0 -0.00001 6*0.0 -0.00002 2*0.0 0.00001 0.0
|
||||
15*0.0 -0.00002 2*0.0 0.00001 0.0
|
||||
5*0.0 0.00001 9*0.0 -0.00002 2*0.0 0.00001 0.0
|
||||
171
tests/DFTB/nonscc/ff
Normal file
171
tests/DFTB/nonscc/ff
Normal file
|
|
@ -0,0 +1,171 @@
|
|||
0.1 100
|
||||
0.0 -.4130 -1.0828 4*0.0 0.0 5.0 2.0 T F
|
||||
18.998 0.1531734881 -0.4354585055 0.7013348339 -0.6381450974 0.3295969525 -0.0862683579
|
||||
0.0091024821 0.0 3.863900 4.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -1.50584 -3.02842 0.0 0.14957 -2.26711 5*0.0 0.70079 0.89247 0.0 0.20518
|
||||
0.88095
|
||||
5*0.0 -0.81123 -2.65222 0.0 -0.27636 -2.04323 5*0.0 0.57305 0.84146 0.0 0.26803
|
||||
0.84630
|
||||
5*0.0 -0.25778 -2.29726 0.0 -0.64617 -1.94718 5*0.0 0.44331 0.78589 0.0 0.32727
|
||||
0.81310
|
||||
5*0.0 0.15658 -1.97474 0.0 -0.92845 -1.89458 5*0.0 0.31811 0.72792 0.0 0.37931
|
||||
0.77990
|
||||
5*0.0 0.44962 -1.68886 0.0 -1.12014 -1.84212 5*0.0 0.20192 0.66932 0.0 0.42190
|
||||
0.74544
|
||||
5*0.0 0.64423 -1.43964 0.0 -1.23195 -1.77249 5*0.0 0.09751 0.61147 0.0 0.45398
|
||||
0.70897
|
||||
5*0.0 0.76283 -1.22477 0.0 -1.27949 -1.68253 5*0.0 0.00629 0.55540 0.0 0.47545
|
||||
0.67031
|
||||
5*0.0 0.82497 -1.04090 0.0 -1.27861 -1.57561 5*0.0 -0.07132 0.50185 0.0 0.48688
|
||||
0.62967
|
||||
5*0.0 0.84650 -0.88427 0.0 -1.24328 -1.45739 5*0.0 -0.13559 0.45132 0.0 0.48926
|
||||
0.58756
|
||||
5*0.0 0.83978 -0.75125 0.0 -1.18485 -1.33360 5*0.0 -0.18725 0.40411 0.0 0.48382
|
||||
0.54464
|
||||
5*0.0 0.81410 -0.63843 0.0 -1.11210 -1.20911 5*0.0 -0.22732 0.36037 0.0 0.47186
|
||||
0.50158
|
||||
5*0.0 0.77629 -0.54280 0.0 -1.03158 -1.08764 5*0.0 -0.25696 0.32015 0.0 0.45469
|
||||
0.45905
|
||||
5*0.0 0.73125 -0.46174 0.0 -0.94799 -0.97183 5*0.0 -0.27741 0.28340 0.0 0.43351
|
||||
0.41762
|
||||
5*0.0 0.68247 -0.39299 0.0 -0.86463 -0.86334 5*0.0 -0.28988 0.25000 0.0 0.40943
|
||||
0.37778
|
||||
5*0.0 0.63233 -0.33463 0.0 -0.78369 -0.76313 5*0.0 -0.29557 0.21982 0.0 0.38341
|
||||
0.33989
|
||||
5*0.0 0.58248 -0.28505 0.0 -0.70661 -0.67159 5*0.0 -0.29558 0.19268 0.0 0.35629
|
||||
0.30423
|
||||
5*0.0 0.53400 -0.24290 0.0 -0.63425 -0.58872 5*0.0 -0.29095 0.16836 0.0 0.32876
|
||||
0.27099
|
||||
5*0.0 0.48758 -0.20702 0.0 -0.56704 -0.51426 5*0.0 -0.28259 0.14667 0.0 0.30140
|
||||
0.24025
|
||||
5*0.0 0.44364 -0.17645 0.0 -0.50516 -0.44777 5*0.0 -0.27134 0.12741 0.0 0.27464
|
||||
0.21205
|
||||
5*0.0 0.40240 -0.15040 0.0 -0.44858 -0.38871 5*0.0 -0.25793 0.11036 0.0 0.24886
|
||||
0.18637
|
||||
5*0.0 0.36398 -0.12817 0.0 -0.39715 -0.33651 5*0.0 -0.24300 0.09532 0.0 0.22429
|
||||
0.16312
|
||||
5*0.0 0.32837 -0.10921 0.0 -0.35064 -0.29054 5*0.0 -0.22710 0.08210 0.0 0.20114
|
||||
0.14221
|
||||
5*0.0 0.29554 -0.09302 0.0 -0.30875 -0.25023 5*0.0 -0.21067 0.07052 0.0 0.17952
|
||||
0.12350
|
||||
5*0.0 0.26537 -0.07920 0.0 -0.27118 -0.21499 5*0.0 -0.19412 0.06042 0.0 0.15949
|
||||
0.10686
|
||||
5*0.0 0.23776 -0.06739 0.0 -0.23759 -0.18428 5*0.0 -0.17774 0.05162 0.0 0.14108
|
||||
0.09213
|
||||
5*0.0 0.21257 -0.05731 0.0 -0.20767 -0.15760 5*0.0 -0.16179 0.04399 0.0 0.12427
|
||||
0.07916
|
||||
5*0.0 0.18965 -0.04870 0.0 -0.18110 -0.13449 5*0.0 -0.14645 0.03738 0.0 0.10901
|
||||
0.06778
|
||||
5*0.0 0.16885 -0.04135 0.0 -0.15757 -0.11452 5*0.0 -0.13188 0.03169 0.0 0.09526
|
||||
0.05784
|
||||
5*0.0 0.15003 -0.03508 0.0 -0.13679 -0.09730 5*0.0 -0.11817 0.02680 0.0 0.08292
|
||||
0.04920
|
||||
5*0.0 0.13304 -0.02974 0.0 -0.11849 -0.08250 5*0.0 -0.10538 0.02260 0.0 0.07191
|
||||
0.04172
|
||||
5*0.0 0.11774 -0.02518 0.0 -0.10241 -0.06981 5*0.0 -0.09354 0.01901 0.0 0.06214
|
||||
0.03526
|
||||
5*0.0 0.10398 -0.02129 0.0 -0.08832 -0.05894 5*0.0 -0.08267 0.01595 0.0 0.05350
|
||||
0.02971
|
||||
5*0.0 0.09165 -0.01799 0.0 -0.07601 -0.04967 5*0.0 -0.07276 0.01335 0.0 0.04591
|
||||
0.02496
|
||||
5*0.0 0.08061 -0.01518 0.0 -0.06527 -0.04177 5*0.0 -0.06377 0.01115 0.0 0.03926
|
||||
0.02091
|
||||
5*0.0 0.07076 -0.01279 0.0 -0.05593 -0.03506 5*0.0 -0.05567 0.00929 0.0 0.03346
|
||||
0.01747
|
||||
5*0.0 0.06198 -0.01076 0.0 -0.04782 -0.02936 5*0.0 -0.04841 0.00772 0.0 0.02843
|
||||
0.01455
|
||||
5*0.0 0.05418 -0.00904 0.0 -0.04080 -0.02454 5*0.0 -0.04194 0.00640 0.0 0.02407
|
||||
0.01208
|
||||
5*0.0 0.04725 -0.00759 0.0 -0.03473 -0.02048 5*0.0 -0.03620 0.00529 0.0 0.02032
|
||||
0.01001
|
||||
5*0.0 0.04112 -0.00635 0.0 -0.02951 -0.01705 5*0.0 -0.03113 0.00436 0.0 0.01710
|
||||
0.00827
|
||||
5*0.0 0.03571 -0.00532 0.0 -0.02501 -0.01417 5*0.0 -0.02668 0.00359 0.0 0.01435
|
||||
0.00681
|
||||
5*0.0 0.03094 -0.00444 0.0 -0.02116 -0.01175 5*0.0 -0.02278 0.00295 0.0 0.01200
|
||||
0.00560
|
||||
5*0.0 0.02675 -0.00370 0.0 -0.01786 -0.00972 5*0.0 -0.01939 0.00241 0.0 0.01001
|
||||
0.00459
|
||||
5*0.0 0.02307 -0.00308 0.0 -0.01504 -0.00803 5*0.0 -0.01645 0.00197 0.0 0.00833
|
||||
0.00375
|
||||
5*0.0 0.01985 -0.00256 0.0 -0.01264 -0.00662 5*0.0 -0.01391 0.00161 0.0 0.00691
|
||||
0.00306
|
||||
5*0.0 0.01704 -0.00212 0.0 -0.01060 -0.00545 5*0.0 -0.01172 0.00131 0.0 0.00571
|
||||
0.00249
|
||||
5*0.0 0.01459 -0.00175 0.0 -0.00887 -0.00447 5*0.0 -0.00984 0.00106 0.0 0.00471
|
||||
0.00202
|
||||
5*0.0 0.01247 -0.00145 0.0 -0.00740 -0.00367 5*0.0 -0.00825 0.00086 0.0 0.00388
|
||||
0.00164
|
||||
5*0.0 0.01063 -0.00119 0.0 -0.00617 -0.00300 5*0.0 -0.00688 0.00070 0.0 0.00318
|
||||
0.00132
|
||||
5*0.0 0.00904 -0.00098 0.0 -0.00513 -0.00245 5*0.0 -0.00573 0.00056 0.0 0.00261
|
||||
0.00107
|
||||
5*0.0 0.00766 -0.00081 0.0 -0.00425 -0.00199 5*0.0 -0.00476 0.00045 0.0 0.00213
|
||||
0.00086
|
||||
5*0.0 0.00648 -0.00066 0.0 -0.00352 -0.00162 5*0.0 -0.00394 0.00036 0.0 0.00174
|
||||
0.00069
|
||||
5*0.0 0.00547 -0.00054 0.0 -0.00291 -0.00131 5*0.0 -0.00325 0.00029 0.0 0.00141
|
||||
0.00055
|
||||
5*0.0 0.00461 -0.00044 0.0 -0.00240 -0.00106 5*0.0 -0.00268 0.00023 0.0 0.00115
|
||||
0.00044
|
||||
5*0.0 0.00387 -0.00036 0.0 -0.00197 -0.00086 5*0.0 -0.00220 0.00019 0.0 0.00093
|
||||
0.00035
|
||||
5*0.0 0.00324 -0.00029 0.0 -0.00162 -0.00069 5*0.0 -0.00181 0.00015 0.0 0.00075
|
||||
0.00028
|
||||
5*0.0 0.00271 -0.00024 0.0 -0.00132 -0.00056 5*0.0 -0.00148 0.00012 0.0 0.00061
|
||||
0.00022
|
||||
5*0.0 0.00226 -0.00019 0.0 -0.00108 -0.00045 5*0.0 -0.00121 0.00010 0.0 0.00049
|
||||
0.00018
|
||||
5*0.0 0.00188 -0.00016 0.0 -0.00088 -0.00036 5*0.0 -0.00099 0.00008 0.0 0.00039
|
||||
0.00014
|
||||
5*0.0 0.00156 -0.00013 0.0 -0.00072 -0.00028 5*0.0 -0.00080 0.00006 0.0 0.00032
|
||||
0.00011
|
||||
5*0.0 0.00129 -0.00010 0.0 -0.00058 -0.00023 5*0.0 -0.00065 0.00005 0.0 0.00026
|
||||
0.00008
|
||||
5*0.0 0.00106 -0.00008 0.0 -0.00047 -0.00018 5*0.0 -0.00053 0.00004 0.0 0.00020
|
||||
0.00006
|
||||
5*0.0 0.00088 -0.00006 0.0 -0.00038 -0.00014 5*0.0 -0.00043 0.00003 0.0 0.00016
|
||||
0.00005
|
||||
5*0.0 0.00072 -0.00005 0.0 -0.00031 -0.00011 5*0.0 -0.00035 0.00002 0.0 0.00013
|
||||
0.00004
|
||||
5*0.0 0.00059 -0.00004 0.0 -0.00025 -0.00009 5*0.0 -0.00029 0.00002 0.0 0.00010
|
||||
0.00003
|
||||
5*0.0 0.00048 -0.00003 0.0 -0.00020 -0.00007 5*0.0 -0.00023 0.00001 0.0 0.00008
|
||||
0.00002
|
||||
5*0.0 0.00039 -0.00003 0.0 -0.00016 -0.00005 5*0.0 -0.00019 0.00001 0.0 0.00006
|
||||
0.00001
|
||||
5*0.0 0.00032 -0.00002 0.0 -0.00013 -0.00004 5*0.0 -0.00015 0.00001 0.0 0.00005
|
||||
0.00001
|
||||
5*0.0 0.00026 -0.00002 0.0 -0.00010 -0.00003 5*0.0 -0.00013 0.00001 0.0 0.00004
|
||||
0.0
|
||||
5*0.0 0.00021 -0.00001 0.0 -0.00008 -0.00002 5*0.0 -0.00010 2*0.0 0.00003 0.0
|
||||
5*0.0 0.00017 -0.00001 0.0 -0.00006 -0.00001 5*0.0 -0.00008 2*0.0 0.00002 0.0
|
||||
5*0.0 0.00014 -0.00001 0.0 -0.00005 -0.00001 5*0.0 -0.00007 2*0.0 0.00001 0.0
|
||||
5*0.0 0.00011 -0.00001 0.0 -0.00004 -0.00001 5*0.0 -0.00006 2*0.0 0.00001 0.0
|
||||
5*0.0 0.00009 2*0.0 -0.00003 6*0.0 -0.00004 3*0.0 -0.00001
|
||||
5*0.0 0.00007 2*0.0 -0.00002 6*0.0 -0.00004 3*0.0 -0.00001
|
||||
5*0.0 0.00006 2*0.0 -0.00001 6*0.0 -0.00003 3*0.0 -0.00001
|
||||
5*0.0 0.00005 2*0.0 -0.00001 6*0.0 -0.00002 3*0.0 -0.00001
|
||||
5*0.0 0.00004 2*0.0 -0.00001 6*0.0 -0.00002 2*0.0 -0.00001 -0.00001
|
||||
5*0.0 0.00003 9*0.0 -0.00001 2*0.0 -0.00001 -0.00001
|
||||
5*0.0 0.00002 9*0.0 -0.00001 2*0.0 -0.00001 -0.00001
|
||||
5*0.0 0.00002 12*0.0 -0.00001 0.0
|
||||
5*0.0 0.00001 12*0.0 -0.00001 0.0
|
||||
5*0.0 0.00001 12*0.0 -0.00001 0.0
|
||||
5*0.0 0.00001 12*0.0 -0.00001 0.0
|
||||
18*0.0 -0.00001 0.0
|
||||
8*0.0 0.00001 6*0.0 0.00001 2*0.0 -0.00001 0.0
|
||||
8*0.0 0.00001 6*0.0 0.00001 2*0.0 -0.00001 0.0
|
||||
15*0.0 0.00001 2*0.0 -0.00001 0.0
|
||||
15*0.0 0.00001 2*0.0 -0.00001 0.0
|
||||
15*0.0 0.00001 2*0.0 -0.00001 0.0
|
||||
15*0.0 0.00001 2*0.0 -0.00001 0.0
|
||||
15*0.0 0.00001 2*0.0 -0.00001 0.0
|
||||
15*0.0 0.00001 4*0.0
|
||||
15*0.0 0.00001 4*0.0
|
||||
15*0.0 0.00001 4*0.0
|
||||
15*0.0 0.00001 4*0.0
|
||||
15*0.0 0.00001 4*0.0
|
||||
101
tests/DFTB/nonscc/fh
Normal file
101
tests/DFTB/nonscc/fh
Normal file
|
|
@ -0,0 +1,101 @@
|
|||
0.1, 100,
|
||||
0.0, -0.001317, 0.200715, -0.335454, 0.244108, -0.08476, 0.01228, 2*0.0, 3.65, 3.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
9*0.0 -1.47068 9*0.0 0.88792
|
||||
9*0.0 -1.45846 9*0.0 0.86354
|
||||
9*0.0 -1.41925 9*0.0 0.83350
|
||||
9*0.0 -1.35973 9*0.0 0.79842
|
||||
9*0.0 -1.28604 9*0.0 0.75910
|
||||
9*0.0 -1.20335 9*0.0 0.71643
|
||||
9*0.0 -1.11580 9*0.0 0.67135
|
||||
9*0.0 -1.02661 9*0.0 0.62477
|
||||
9*0.0 -0.93819 9*0.0 0.57753
|
||||
9*0.0 -0.85230 9*0.0 0.53041
|
||||
9*0.0 -0.77015 9*0.0 0.48407
|
||||
9*0.0 -0.69253 9*0.0 0.43910
|
||||
9*0.0 -0.61994 9*0.0 0.39596
|
||||
9*0.0 -0.55261 9*0.0 0.35500
|
||||
9*0.0 -0.49064 9*0.0 0.31651
|
||||
9*0.0 -0.43395 9*0.0 0.28065
|
||||
9*0.0 -0.38241 9*0.0 0.24755
|
||||
9*0.0 -0.33581 9*0.0 0.21722
|
||||
9*0.0 -0.29388 9*0.0 0.18965
|
||||
9*0.0 -0.25634 9*0.0 0.16478
|
||||
9*0.0 -0.22288 9*0.0 0.14248
|
||||
9*0.0 -0.19318 9*0.0 0.12263
|
||||
9*0.0 -0.16693 9*0.0 0.10506
|
||||
9*0.0 -0.14381 9*0.0 0.08962
|
||||
9*0.0 -0.12352 9*0.0 0.07611
|
||||
9*0.0 -0.10579 9*0.0 0.06437
|
||||
9*0.0 -0.09035 9*0.0 0.05422
|
||||
9*0.0 -0.07694 9*0.0 0.04548
|
||||
9*0.0 -0.06533 9*0.0 0.03800
|
||||
9*0.0 -0.05532 9*0.0 0.03163
|
||||
9*0.0 -0.04671 9*0.0 0.02623
|
||||
9*0.0 -0.03933 9*0.0 0.02168
|
||||
9*0.0 -0.03303 9*0.0 0.01785
|
||||
9*0.0 -0.02766 9*0.0 0.01464
|
||||
9*0.0 -0.02309 9*0.0 0.01197
|
||||
9*0.0 -0.01923 9*0.0 0.00975
|
||||
9*0.0 -0.01596 9*0.0 0.00792
|
||||
9*0.0 -0.01321 9*0.0 0.00641
|
||||
9*0.0 -0.01091 9*0.0 0.00517
|
||||
9*0.0 -0.00898 9*0.0 0.00416
|
||||
9*0.0 -0.00737 9*0.0 0.00333
|
||||
9*0.0 -0.00603 9*0.0 0.00266
|
||||
9*0.0 -0.00492 9*0.0 0.00212
|
||||
9*0.0 -0.00400 9*0.0 0.00169
|
||||
9*0.0 -0.00324 9*0.0 0.00134
|
||||
9*0.0 -0.00262 9*0.0 0.00105
|
||||
9*0.0 -0.00211 9*0.0 0.00083
|
||||
9*0.0 -0.00169 9*0.0 0.00065
|
||||
9*0.0 -0.00135 9*0.0 0.00051
|
||||
9*0.0 -0.00108 9*0.0 0.00040
|
||||
9*0.0 -0.00086 9*0.0 0.00031
|
||||
9*0.0 -0.00068 9*0.0 0.00024
|
||||
9*0.0 -0.00054 9*0.0 0.00018
|
||||
9*0.0 -0.00042 9*0.0 0.00014
|
||||
9*0.0 -0.00033 9*0.0 0.00011
|
||||
9*0.0 -0.00026 9*0.0 0.00008
|
||||
9*0.0 -0.00020 9*0.0 0.00006
|
||||
9*0.0 -0.00016 9*0.0 0.00004
|
||||
9*0.0 -0.00012 9*0.0 0.00003
|
||||
9*0.0 -0.00009 9*0.0 0.00002
|
||||
9*0.0 -0.00007 9*0.0 0.00002
|
||||
9*0.0 -0.00006 9*0.0 0.00001
|
||||
9*0.0 -0.00004 9*0.0 0.00001
|
||||
9*0.0 -0.00003 9*0.0 0.00001
|
||||
9*0.0 -0.00003 10*0.0
|
||||
9*0.0 -0.00002 10*0.0
|
||||
9*0.0 -0.00002 10*0.0
|
||||
9*0.0 -0.00001 10*0.0
|
||||
9*0.0 -0.00001 10*0.0
|
||||
9*0.0 -0.00001 10*0.0
|
||||
9*0.0 -0.00001 10*0.0
|
||||
9*0.0 -0.00001 10*0.0
|
||||
9*0.0 -0.00001 10*0.0
|
||||
9*0.0 -0.00001 10*0.0
|
||||
9*0.0 -0.00001 10*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
102
tests/DFTB/nonscc/hb
Normal file
102
tests/DFTB/nonscc/hb
Normal file
|
|
@ -0,0 +1,102 @@
|
|||
0.1, 100,
|
||||
0.0, +0.101483 -0.064831 +0.006837 +0.004692 4*0.0, 4.00, 3.0, 9*0.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
20*1.0,
|
||||
8*0., -0.3478 -0.2262,8*0., 0.3197 0.6484
|
||||
8*0., -0.3990 -0.2826,8*0., 0.3863 0.6486
|
||||
8*0., -0.4366 -0.3292,8*0., 0.4452 0.6469
|
||||
8*0., -0.4622 -0.3654,8*0., 0.4958 0.6428
|
||||
8*0., -0.4776 -0.3916,8*0., 0.5376 0.6360
|
||||
8*0., -0.4846 -0.4087,8*0., 0.5707 0.6262
|
||||
8*0., -0.4847 -0.4178,8*0., 0.5950 0.6134
|
||||
8*0., -0.4793 -0.4203,8*0., 0.6111 0.5977
|
||||
8*0., -0.4695 -0.4173,8*0., 0.6192 0.5792
|
||||
8*0., -0.4565 -0.4097,8*0., 0.6201 0.5582
|
||||
8*0., -0.4410 -0.3986,8*0., 0.6145 0.5349
|
||||
8*0., -0.4238 -0.3847,8*0., 0.6031 0.5098
|
||||
8*0., -0.4054 -0.3687,8*0., 0.5867 0.4833
|
||||
8*0., -0.3863 -0.3513,8*0., 0.5662 0.4557
|
||||
8*0., -0.3668 -0.3329,8*0., 0.5421 0.4274
|
||||
8*0., -0.3471 -0.3139,8*0., 0.5154 0.3988
|
||||
8*0., -0.3276 -0.2947,8*0., 0.4867 0.3702
|
||||
8*0., -0.3084 -0.2756,8*0., 0.4566 0.3420
|
||||
8*0., -0.2896 -0.2567,8*0., 0.4258 0.3144
|
||||
8*0., -0.2712 -0.2382,8*0., 0.3947 0.2876
|
||||
8*0., -0.2533 -0.2202,8*0., 0.3639 0.2619
|
||||
8*0., -0.2361 -0.2030,8*0., 0.3336 0.2374
|
||||
8*0., -0.2194 -0.1865,8*0., 0.3043 0.2142
|
||||
8*0., -0.2035 -0.1708,8*0., 0.2761 0.1925
|
||||
8*0., -0.1881 -0.1559,8*0., 0.2493 0.1722
|
||||
8*0., -0.1735 -0.1418,8*0., 0.2241 0.1533
|
||||
8*0., -0.1595 -0.1287,8*0., 0.2004 0.1360
|
||||
8*0., -0.1463 -0.1164,8*0., 0.1784 0.1201
|
||||
8*0., -0.1337 -0.1049,8*0., 0.1581 0.1057
|
||||
8*0., -0.1218 -0.0943,8*0., 0.1395 0.0926
|
||||
8*0., -0.1107 -0.0844,8*0., 0.1226 0.0808
|
||||
8*0., -0.1002 -0.0754,8*0., 0.1072 0.0702
|
||||
8*0., -0.0904 -0.0671,8*0., 0.0934 0.0607
|
||||
8*0., -0.0814 -0.0596,8*0., 0.0811 0.0523
|
||||
8*0., -0.0729 -0.0527,8*0., 0.0701 0.0449
|
||||
8*0., -0.0651 -0.0465,8*0., 0.0603 0.0384
|
||||
8*0., -0.0580 -0.0408,8*0., 0.0517 0.0327
|
||||
8*0., -0.0514 -0.0358,8*0., 0.0442 0.0278
|
||||
8*0., -0.0454 -0.0312,8*0., 0.0376 0.0235
|
||||
8*0., -0.0400 -0.0272,8*0., 0.0319 0.0197
|
||||
8*0., -0.0351 -0.0236,8*0., 0.0270 0.0165
|
||||
8*0., -0.0306 -0.0204,8*0., 0.0228 0.0138
|
||||
8*0., -0.0267 -0.0175,8*0., 0.0192 0.0115
|
||||
8*0., -0.0231 -0.0150,8*0., 0.0161 0.0095
|
||||
8*0., -0.0200 -0.0129,8*0., 0.0135 0.0078
|
||||
8*0., -0.0171 -0.0110,8*0., 0.0112 0.0064
|
||||
8*0., -0.0147 -0.0093,8*0., 0.0094 0.0052
|
||||
8*0., -0.0125 -0.0079,8*0., 0.0078 0.0042
|
||||
8*0., -0.0106 -0.0066,8*0., 0.0065 0.0034
|
||||
8*0., -0.0090 -0.0056,8*0., 0.0054 0.0027
|
||||
8*0., -0.0076 -0.0046,8*0., 0.0045 0.0022
|
||||
8*0., -0.0064 -0.0039,8*0., 0.0038 0.0017
|
||||
8*0., -0.0053 -0.0032,8*0., 0.0031 0.0014
|
||||
8*0., -0.0044 -0.0026,8*0., 0.0026 0.0011
|
||||
8*0., -0.0037 -0.0022,8*0., 0.0022 0.0008
|
||||
8*0., -0.0030 -0.0018,8*0., 0.0018 0.0006
|
||||
8*0., -0.0025 -0.0015,8*0., 0.0015 0.0005
|
||||
8*0., -0.0020 -0.0012,8*0., 0.0013 0.0004
|
||||
8*0., -0.0017 -0.0010,8*0., 0.0011 0.0003
|
||||
8*0., -0.0014 -0.0008,8*0., 0.0009 0.0002
|
||||
8*0., -0.0011 -0.0006,8*0., 0.0007 0.0002
|
||||
8*0., -0.0009 -0.0005,8*0., 0.0006 0.0001
|
||||
8*0., -0.0007 -0.0004,8*0., 0.0005 0.0001
|
||||
8*0., -0.0006 -0.0003,8*0., 0.0004 0.0001
|
||||
8*0., -0.0005 -0.0003,8*0., 0.0003 0.0000
|
||||
8*0., -0.0004 -0.0002,8*0., 0.0002 0.0000
|
||||
8*0., -0.0003 -0.0002,8*0., 0.0002 0.0000
|
||||
8*0., -0.0003 -0.0001,8*0., 0.0001 0.0000
|
||||
8*0., -0.0002 -0.0001,8*0., 0.0001 0.0000
|
||||
8*0., -0.0002 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 -0.0001,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., -0.0001 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
8*0., 0.0000 0.0000,8*0., 0.0000 0.0000
|
||||
|
||||
502
tests/DFTB/nonscc/hh
Normal file
502
tests/DFTB/nonscc/hh
Normal file
|
|
@ -0,0 +1,502 @@
|
|||
0.02, 500,
|
||||
0.0 0.0 -0.2330, 0.0 0.0 0.0 0.0 0.0 0.0 1.0 T F
|
||||
1.008, -0.005272, 0.675798, -2.354943, 3.720085, -3.147849, 1.47679, -0.362696, 0.036549, 3.11, 2.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
9*0.0 -7.303833725090e-01 9*0.0 9.358798694150e-01
|
||||
9*0.0 -7.231354407450e-01 9*0.0 9.296224810600e-01
|
||||
9*0.0 -7.157702724860e-01 9*0.0 9.231180412970e-01
|
||||
9*0.0 -7.083049379050e-01 9*0.0 9.163737696130e-01
|
||||
9*0.0 -7.007514613670e-01 9*0.0 9.093970301260e-01
|
||||
9*0.0 -6.931224520070e-01 9*0.0 9.021953175430e-01
|
||||
9*0.0 -6.854295118670e-01 9*0.0 8.947762422690e-01
|
||||
9*0.0 -6.776837279730e-01 9*0.0 8.871475161850e-01
|
||||
9*0.0 -6.698949968830e-01 9*0.0 8.793169385180e-01
|
||||
9*0.0 -6.620728888720e-01 9*0.0 8.712923823080e-01
|
||||
9*0.0 -6.542261847250e-01 9*0.0 8.630817810880e-01
|
||||
9*0.0 -6.463631246410e-01 9*0.0 8.546931157770e-01
|
||||
9*0.0 -6.384911716660e-01 9*0.0 8.461344023960e-01
|
||||
9*0.0 -6.306171126870e-01 9*0.0 8.374136795000e-01
|
||||
9*0.0 -6.227478473080e-01 9*0.0 8.285389967460e-01
|
||||
9*0.0 -6.148891167570e-01 9*0.0 8.195184030250e-01
|
||||
9*0.0 -6.070464160990e-01 9*0.0 8.103599358460e-01
|
||||
9*0.0 -5.992247570440e-01 9*0.0 8.010716102620e-01
|
||||
9*0.0 -5.914287841320e-01 9*0.0 7.916614089430e-01
|
||||
9*0.0 -5.836627712450e-01 9*0.0 7.821372720670e-01
|
||||
9*0.0 -5.759305227890e-01 9*0.0 7.725070879880e-01
|
||||
9*0.0 -5.682356036590e-01 9*0.0 7.627786841610e-01
|
||||
9*0.0 -5.605812191050e-01 9*0.0 7.529598184520e-01
|
||||
9*0.0 -5.529699094940e-01 9*0.0 7.430581692890e-01
|
||||
9*0.0 -5.454049877440e-01 9*0.0 7.330813338730e-01
|
||||
9*0.0 -5.378885255130e-01 9*0.0 7.230368120590e-01
|
||||
9*0.0 -5.304225938040e-01 9*0.0 7.129320046500e-01
|
||||
9*0.0 -5.230092174720e-01 9*0.0 7.027742060440e-01
|
||||
9*0.0 -5.156500547210e-01 9*0.0 6.925705970120e-01
|
||||
9*0.0 -5.083466510150e-01 9*0.0 6.823282394930e-01
|
||||
9*0.0 -5.011002697180e-01 9*0.0 6.720540708030e-01
|
||||
9*0.0 -4.939121782530e-01 9*0.0 6.617548985960e-01
|
||||
9*0.0 -4.867833353330e-01 9*0.0 6.514373960690e-01
|
||||
9*0.0 -4.797146517570e-01 9*0.0 6.411080975600e-01
|
||||
9*0.0 -4.727068750820e-01 9*0.0 6.307733945070e-01
|
||||
9*0.0 -4.657606207330e-01 9*0.0 6.204395317590e-01
|
||||
9*0.0 -4.588764263520e-01 9*0.0 6.101126042060e-01
|
||||
9*0.0 -4.520547478570e-01 9*0.0 5.997985538010e-01
|
||||
9*0.0 -4.452958794510e-01 9*0.0 5.895031668290e-01
|
||||
9*0.0 -4.386000882800e-01 9*0.0 5.792320715450e-01
|
||||
9*0.0 -4.319675448770e-01 9*0.0 5.689907361390e-01
|
||||
9*0.0 -4.253983446340e-01 9*0.0 5.587844669660e-01
|
||||
9*0.0 -4.188925797280e-01 9*0.0 5.486184070550e-01
|
||||
9*0.0 -4.124501785590e-01 9*0.0 5.384975349550e-01
|
||||
9*0.0 -4.060711028120e-01 9*0.0 5.284266638370e-01
|
||||
9*0.0 -3.997552756510e-01 9*0.0 5.184104408160e-01
|
||||
9*0.0 -3.935025054660e-01 9*0.0 5.084533465900e-01
|
||||
9*0.0 -3.873126437230e-01 9*0.0 4.985596953250e-01
|
||||
9*0.0 -3.811854685440e-01 9*0.0 4.887336346590e-01
|
||||
9*0.0 -3.751207171480e-01 9*0.0 4.789791461580e-01
|
||||
9*0.0 -3.691181707320e-01 9*0.0 4.693000457650e-01
|
||||
9*0.0 -3.631775209620e-01 9*0.0 4.596999845920e-01
|
||||
9*0.0 -3.572984796420e-01 9*0.0 4.501824498520e-01
|
||||
9*0.0 -3.514807187420e-01 9*0.0 4.407507660340e-01
|
||||
9*0.0 -3.457239406120e-01 9*0.0 4.314080961780e-01
|
||||
9*0.0 -3.400277955760e-01 9*0.0 4.221574434230e-01
|
||||
9*0.0 -3.343919616490e-01 9*0.0 4.130016526090e-01
|
||||
9*0.0 -3.288160808130e-01 9*0.0 4.039434121330e-01
|
||||
9*0.0 -3.232998315740e-01 9*0.0 3.949852558830e-01
|
||||
9*0.0 -3.178428502070e-01 9*0.0 3.861295653280e-01
|
||||
9*0.0 -3.124448036760e-01 9*0.0 3.773785717410e-01
|
||||
9*0.0 -3.071053504640e-01 9*0.0 3.687343585280e-01
|
||||
9*0.0 -3.018241421550e-01 9*0.0 3.601988636970e-01
|
||||
9*0.0 -2.966008568660e-01 9*0.0 3.517738823670e-01
|
||||
9*0.0 -2.914351622920e-01 9*0.0 3.434610694550e-01
|
||||
9*0.0 -2.863267436280e-01 9*0.0 3.352619423820e-01
|
||||
9*0.0 -2.812752626900e-01 9*0.0 3.271778838850e-01
|
||||
9*0.0 -2.762804261360e-01 9*0.0 3.192101449040e-01
|
||||
9*0.0 -2.713419324700e-01 9*0.0 3.113598475340e-01
|
||||
9*0.0 -2.664594819480e-01 9*0.0 3.036279880110e-01
|
||||
9*0.0 -2.616327850860e-01 9*0.0 2.960154397810e-01
|
||||
9*0.0 -2.568615514240e-01 9*0.0 2.885229565670e-01
|
||||
9*0.0 -2.521455381850e-01 9*0.0 2.811511756290e-01
|
||||
9*0.0 -2.474844644770e-01 9*0.0 2.739006207480e-01
|
||||
9*0.0 -2.428780761270e-01 9*0.0 2.667717055440e-01
|
||||
9*0.0 -2.383261253270e-01 9*0.0 2.597647366660e-01
|
||||
9*0.0 -2.338283675590e-01 9*0.0 2.528799170190e-01
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||||
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||||
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||||
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||||
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|
||||
9*0.0 -3.785083388190e-05 9*0.0 1.704902750480e-04
|
||||
502
tests/DFTB/nonscc/hh0
Normal file
502
tests/DFTB/nonscc/hh0
Normal file
|
|
@ -0,0 +1,502 @@
|
|||
0.02, 500,
|
||||
0.0 0.0 -0.2330 0.0
|
||||
1.008, 9*0.0, 2.0, 9*0.0,
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
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20*0.0
|
||||
20*0.0
|
||||
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|
||||
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|
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|
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
20*0.0
|
||||
20*0.0
|
||||
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|
||||
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|
||||
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|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
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|
||||
20*0.0
|
||||
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|
||||
20*0.0
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
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|
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
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|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
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|
||||
20*0.0
|
||||
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|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
201
tests/DFTB/nonscc/kcl_exp
Normal file
201
tests/DFTB/nonscc/kcl_exp
Normal file
|
|
@ -0,0 +1,201 @@
|
|||
0.1 200
|
||||
0.000 0.01 0.003 0.00025 0.0001 0.0004 3*0.0 6.3 11.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -0.45906598 0.43027735 0.0 0.47644404 -0.25410602 5*0.0 0.28246488 0.23139646 0.0 -0.13309734 -0.14393066
|
||||
5*0.0 -0.41352386 0.25465635 0.0 0.44291619 -0.15464427 5*0.0 0.30244300 0.24368855 0.0 -0.15548770 -0.15899750
|
||||
5*0.0 -0.29102183 0.15316691 0.0 0.36521534 -0.04563623 5*0.0 0.31845391 0.25485719 0.0 -0.17319263 -0.17475847
|
||||
5*0.0 -0.17562895 0.09833039 0.0 0.28974076 0.04839131 5*0.0 0.33236383 0.26495084 0.0 -0.18754846 -0.19012136
|
||||
5*0.0 -0.10218540 0.06918086 0.0 0.23691825 0.11560212 5*0.0 0.34562080 0.27420780 0.0 -0.19962101 -0.20426864
|
||||
5*0.0 -0.07646860 0.05198752 0.0 0.21035019 0.15567370 5*0.0 0.35888557 0.28287877 0.0 -0.21000094 -0.21680329
|
||||
5*0.0 -0.09037531 0.03872507 0.0 0.20539862 0.17423180 5*0.0 0.37204307 0.29114045 0.0 -0.21883749 -0.22770420
|
||||
5*0.0 -0.13074547 0.02530145 0.0 0.21459654 0.17858418 5*0.0 0.38438133 0.29906599 0.0 -0.22597039 -0.23720332
|
||||
5*0.0 -0.18416439 0.01011975 0.0 0.23056005 0.17543319 5*0.0 0.39483360 0.30662831 0.0 -0.23107669 -0.24565593
|
||||
5*0.0 -0.23945523 -0.00696920 0.0 0.24735147 0.16993527 5*0.0 0.40222032 0.31372079 0.0 -0.23379361 -0.25343665
|
||||
5*0.0 -0.28867205 -0.02538659 0.0 0.26091001 0.16551433 5*0.0 0.40544878 0.32018512 0.0 -0.23380533 -0.26087020
|
||||
5*0.0 -0.32708898 -0.04428761 0.0 0.26894264 0.16406039 5*0.0 0.40364995 0.32583924 0.0 -0.23089482 -0.26819426
|
||||
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5*0.0 -0.36510706 -0.08030623 0.0 0.26582377 0.17212069 5*0.0 0.38299297 0.33400788 0.0 -0.21605165 -0.28297296
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5*0.0 -0.36551636 -0.09619232 0.0 0.25540353 0.18101005 5*0.0 0.36391459 0.33622578 0.0 -0.20429124 -0.29043605
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5*0.0 -0.35548402 -0.11014502 0.0 0.24024568 0.19218779 5*0.0 0.33930970 0.33705888 0.0 -0.18992279 -0.29784119
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5*0.0 -0.33689250 -0.12197883 0.0 0.22139817 0.20482615 5*0.0 0.30967828 0.33645031 0.0 -0.17325492 -0.30505379
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5*0.0 -0.31164696 -0.13163446 0.0 0.19988710 0.21813852 5*0.0 0.27567461 0.33438175 0.0 -0.15464516 -0.31191881
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5*0.0 -0.28154232 -0.13914786 0.0 0.17665075 0.23143353 5*0.0 0.23805860 0.33087049 0.0 -0.13447887 -0.31827649
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5*0.0 -0.24819338 -0.14462301 0.0 0.15250777 0.24413936 5*0.0 0.19765242 0.32596537 0.0 -0.11315090 -0.32397466
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5*0.0 -0.21300226 -0.14820950 0.0 0.12814587 0.25580945 5*0.0 0.15530315 0.31974200 0.0 -0.09105065 -0.32887739
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5*0.0 -0.17666723 -0.15009583 0.0 0.10414785 0.26611882 5*0.0 0.11185140 0.31229771 0.0 -0.06855044 -0.33287061
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5*0.0 -0.14158954 -0.15043942 0.0 0.08087350 0.27484578 5*0.0 0.06810560 0.30374667 0.0 -0.04599693 -0.33586498
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5*0.0 -0.10707875 -0.14946836 0.0 0.05872346 0.28187100 5*0.0 0.02482149 0.29421513 0.0 -0.02370531 -0.33779679
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5*0.0 -0.07417936 -0.14736148 0.0 0.03790155 0.28714773 5*0.0 -0.01731361 0.28383715 0.0 -0.00195580 -0.33862733
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5*0.0 -0.04329097 -0.14429918 0.0 0.01855586 0.29069257 5*0.0 -0.05769216 0.27275062 0.0 0.01900816 -0.33834120
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5*0.0 -0.01467507 -0.14044874 0.0 0.00076860 0.29256893 5*0.0 -0.09579375 0.26109386 0.0 0.03898011 -0.33694405
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5*0.0 0.01151859 -0.13596241 0.0 -0.01542974 0.29287342 5*0.0 -0.13118899 0.24900269 0.0 0.05778990 -0.33445993
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5*0.0 0.03522717 -0.13097669 0.0 -0.03004774 0.29172432 5*0.0 -0.16354011 0.23660792 0.0 0.07530213 -0.33092857
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5*0.0 0.05645270 -0.12561238 0.0 -0.04312211 0.28925205 5*0.0 -0.19259898 0.22403338 0.0 0.09141408 -0.32640271
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5*0.0 0.07524355 -0.11997531 0.0 -0.05470882 0.28559190 5*0.0 -0.21820285 0.21139436 0.0 0.10605330 -0.32094548
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5*0.0 0.09167974 -0.11415733 0.0 -0.06487607 0.28087863 5*0.0 -0.24026830 0.19879646 0.0 0.11917501 -0.31462807
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5*0.0 0.10586183 -0.10823757 0.0 -0.07369904 0.27524281 5*0.0 -0.25878388 0.18633488 0.0 0.13075937 -0.30752760
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5*0.0 0.11790303 -0.10228369 0.0 -0.08125619 0.26880852 5*0.0 -0.27380181 0.17409392 0.0 0.14080869 -0.29972515
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5*0.0 0.12792391 -0.09635316 0.0 -0.08762682 0.26169212 5*0.0 -0.28542925 0.16214691 0.0 0.14934474 -0.29130411
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5*0.0 0.13604896 -0.09049438 0.0 -0.09288949 0.25400178 5*0.0 -0.29381923 0.15055631 0.0 0.15640609 -0.28234865
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5*0.0 0.14240466 -0.08474780 0.0 -0.09712125 0.24583749 5*0.0 -0.29916187 0.13937401 0.0 0.16204552 -0.27294248
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5*0.0 0.14711831 -0.07914680 0.0 -0.10039723 0.23729141 5*0.0 -0.30167584 0.12864184 0.0 0.16632765 -0.26316772
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5*0.0 0.15031731 -0.07371857 0.0 -0.10279056 0.22844833 5*0.0 -0.30160036 0.11839219 0.0 0.16932661 -0.25310400
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5*0.0 0.15212871 -0.06848481 0.0 -0.10437238 0.21938613 5*0.0 -0.29918790 0.10864869 0.0 0.17112391 -0.24282765
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5*0.0 0.15267873 -0.06346234 0.0 -0.10521193 0.21017632 5*0.0 -0.29469767 0.09942702 0.0 0.17180652 -0.23241111
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5*0.0 0.15209219 -0.05866373 0.0 -0.10537655 0.20088435 5*0.0 -0.28838982 0.09073565 0.0 0.17146503 -0.22192240
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5*0.0 0.15049188 -0.05409775 0.0 -0.10493172 0.19157000 5*0.0 -0.28052059 0.08257673 0.0 0.17019206 -0.21142477
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5*0.0 0.14799779 -0.04976983 0.0 -0.10394092 0.18228761 5*0.0 -0.27133818 0.07494682 0.0 0.16808079 -0.20097642
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5*0.0 0.14472634 -0.04568250 0.0 -0.10246552 0.17308626 5*0.0 -0.26107948 0.06783774 0.0 0.16522374 -0.19063035
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5*0.0 0.14078954 -0.04183574 0.0 -0.10056459 0.16400995 5*0.0 -0.24996749 0.06123726 0.0 0.16171162 -0.18043426
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5*0.0 0.13629424 -0.03822734 0.0 -0.09829468 0.15509773 5*0.0 -0.23820943 0.05512984 0.0 0.15763243 -0.17043055
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5*0.0 0.13134139 -0.03485324 0.0 -0.09570963 0.14638384 5*0.0 -0.22599545 0.04949723 0.0 0.15307066 -0.16065644
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5*0.0 0.12602550 -0.03170779 0.0 -0.09286029 0.13789788 5*0.0 -0.21349789 0.04431914 0.0 0.14810668 -0.15114402
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5*0.0 0.12043413 -0.02878407 0.0 -0.08979443 0.12966495 5*0.0 -0.20087099 0.03957370 0.0 0.14281624 -0.14192051
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5*0.0 0.11464758 -0.02607411 0.0 -0.08655650 0.12170588 5*0.0 -0.18825101 0.03523798 0.0 0.13727012 -0.13300843
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5*0.0 0.10873872 -0.02356912 0.0 -0.08318759 0.11403742 5*0.0 -0.17575661 0.03128840 0.0 0.13153386 -0.12442590
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5*0.0 0.10277290 -0.02125970 0.0 -0.07972535 0.10667248 5*0.0 -0.16348956 0.02770110 0.0 0.12566763 -0.11618687
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5*0.0 0.09680811 -0.01913606 0.0 -0.07620397 0.09962046 5*0.0 -0.15153565 0.02445225 0.0 0.11972618 -0.10830148
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5*0.0 0.09089505 -0.01718810 0.0 -0.07265420 0.09288747 5*0.0 -0.13996563 0.02151831 0.0 0.11375887 -0.10077632
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5*0.0 0.08507753 -0.01540565 0.0 -0.06910348 0.08647662 5*0.0 -0.12883644 0.01887627 0.0 0.10780977 -0.09361479
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5*0.0 0.07939271 -0.01377851 0.0 -0.06557598 0.08038839 5*0.0 -0.11819232 0.01650379 0.0 0.10191779 -0.08681738
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5*0.0 0.07387161 -0.01229661 0.0 -0.06209280 0.07462084 5*0.0 -0.10806608 0.01437939 0.0 0.09611692 -0.08038203
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5*0.0 0.06853946 -0.01095007 0.0 -0.05867209 0.06916999 5*0.0 -0.09848026 0.01248250 0.0 0.09043645 -0.07430438
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5*0.0 0.06341628 -0.00972928 0.0 -0.05532925 0.06403002 5*0.0 -0.08944839 0.01079361 0.0 0.08490122 -0.06857812
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5*0.0 0.05851728 -0.00862495 0.0 -0.05207714 0.05919363 5*0.0 -0.08097605 0.00929425 0.0 0.07953196 -0.06319523
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5*0.0 0.05385339 -0.00762818 0.0 -0.04892626 0.05465220 5*0.0 -0.07306204 0.00796706 0.0 0.07434553 -0.05814627
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5*0.0 0.04943171 -0.00673045 0.0 -0.04588496 0.05039611 5*0.0 -0.06569938 0.00679582 0.0 0.06935528 -0.05342062
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5*0.0 0.04525603 -0.00592367 0.0 -0.04295966 0.04641491 5*0.0 -0.05887621 0.00576538 0.0 0.06457133 -0.04900671
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5*0.0 0.04132718 -0.00520022 0.0 -0.04015500 0.04269755 5*0.0 -0.05257674 0.00486172 0.0 0.06000089 -0.04489223
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5*0.0 0.03764352 -0.00455290 0.0 -0.03747412 0.03923251 5*0.0 -0.04678199 0.00407186 0.0 0.05564856 -0.04106430
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5*0.0 0.03420128 -0.00397496 0.0 -0.03491874 0.03600801 5*0.0 -0.04147051 0.00338388 0.0 0.05151663 -0.03750971
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5*0.0 0.03099495 -0.00346012 0.0 -0.03248943 0.03301212 5*0.0 -0.03661904 0.00278682 0.0 0.04760534 -0.03421499
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5*0.0 0.02801755 -0.00300252 0.0 -0.03018568 0.03023290 5*0.0 -0.03220304 0.00227067 0.0 0.04391315 -0.03116661
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5*0.0 0.02526097 -0.00259671 0.0 -0.02800613 0.02765847 5*0.0 -0.02819717 0.00182632 0.0 0.04043700 -0.02835106
|
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5*0.0 0.02271620 -0.00223769 0.0 -0.02594865 0.02527713 5*0.0 -0.02457576 0.00144549 0.0 0.03717251 -0.02575500
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5*0.0 0.02037358 -0.00192080 0.0 -0.02401049 0.02307744 5*0.0 -0.02131309 0.00112067 0.0 0.03411424 -0.02336528
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5*0.0 0.01822297 -0.00164181 0.0 -0.02218837 0.02104822 5*0.0 -0.01838378 0.00084511 0.0 0.03125583 -0.02116909
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5*0.0 0.01625397 -0.00139680 0.0 -0.02047863 0.01917870 5*0.0 -0.01576294 0.00061273 0.0 0.02859024 -0.01915397
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5*0.0 0.01445605 -0.00118221 0.0 -0.01887727 0.01745844 5*0.0 -0.01342646 0.00041805 0.0 0.02610985 -0.01730786
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5*0.0 0.01281866 -0.00099479 0.0 -0.01738003 0.01587746 5*0.0 -0.01135110 0.00025620 0.0 0.02380664 -0.01561920
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5*0.0 0.01133137 -0.00083157 0.0 -0.01598251 0.01442619 5*0.0 -0.00951466 0.00012283 0.0 0.02167231 -0.01407686
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5*0.0 0.00998397 -0.00068986 0.0 -0.01468018 0.01309553 5*0.0 -0.00789601 0.00001405 0.0 0.01969838 -0.01267027
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5*0.0 0.00876647 -0.00056724 0.0 -0.01346846 0.01187682 5*0.0 -0.00647522 -0.00007356 0.0 0.01787631 -0.01138933
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5*0.0 0.00766926 -0.00046152 0.0 -0.01234275 0.01076187 5*0.0 -0.00523355 -0.00014304 0.0 0.01619758 -0.01022450
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5*0.0 0.00668309 -0.00037070 0.0 -0.01129848 0.00974294 5*0.0 -0.00415346 -0.00019706 0.0 0.01465375 -0.00916675
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5*0.0 0.00579911 -0.00029301 0.0 -0.01033114 0.00881272 5*0.0 -0.00321863 -0.00023797 0.0 0.01323651 -0.00820760
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5*0.0 0.00500891 -0.00022685 0.0 -0.00943630 0.00796439 5*0.0 -0.00241393 -0.00026783 0.0 0.01193778 -0.00733904
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5*0.0 0.00430455 -0.00017079 0.0 -0.00860965 0.00719150 5*0.0 -0.00172540 -0.00028844 0.0 0.01074969 -0.00655362
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5*0.0 0.00367853 -0.00012357 0.0 -0.00784700 0.00648805 5*0.0 -0.00114020 -0.00030135 0.0 0.00966467 -0.00584433
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5*0.0 0.00312381 -0.00008403 0.0 -0.00714431 0.00584842 5*0.0 -0.00064657 -0.00030792 0.0 0.00867544 -0.00520467
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5*0.0 0.00263381 -0.00005116 0.0 -0.00649768 0.00526739 5*0.0 -0.00023378 -0.00030932 0.0 0.00777502 -0.00462858
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5*0.0 0.00220241 -0.00002408 0.0 -0.00590337 0.00474008 5*0.0 0.00010794 -0.00030655 0.0 0.00695678 -0.00411044
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5*0.0 0.00182392 -0.00000198 0.0 -0.00535782 0.00426198 5*0.0 0.00038741 -0.00030047 0.0 0.00621443 -0.00364504
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5*0.0 0.00149307 0.00001583 0.0 -0.00485762 0.00382888 5*0.0 0.00061263 -0.00029182 0.0 0.00554200 -0.00322759
|
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5*0.0 0.00120500 0.00002998 0.0 -0.00439954 0.00343692 5*0.0 0.00079076 -0.00028121 0.0 0.00493389 -0.00285364
|
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5*0.0 0.00095524 0.00004100 0.0 -0.00398070 0.00308268 5*0.0 0.00092826 -0.00026917 0.0 0.00438483 -0.00251911
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5*0.0 0.00073972 0.00004938 0.0 -0.00359771 0.00276234 5*0.0 0.00103087 -0.00025614 0.0 0.00388986 -0.00222026
|
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5*0.0 0.00055466 0.00005551 0.0 -0.00324832 0.00247335 5*0.0 0.00110372 -0.00024247 0.0 0.00344438 -0.00195364
|
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5*0.0 0.00039666 0.00005978 0.0 -0.00292982 0.00221275 5*0.0 0.00115134 -0.00022847 0.0 0.00304408 -0.00171611
|
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5*0.0 0.00026260 0.00006249 0.0 -0.00263980 0.00197794 5*0.0 0.00117774 -0.00021438 0.0 0.00268495 -0.00150479
|
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5*0.0 0.00014968 0.00006391 0.0 -0.00237600 0.00176656 5*0.0 0.00118647 -0.00020040 0.0 0.00236329 -0.00131705
|
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5*0.0 0.00005533 0.00006428 0.0 -0.00213631 0.00157643 5*0.0 0.00118062 -0.00018669 0.0 0.00207566 -0.00115051
|
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5*0.0 -0.00002272 0.00006379 0.0 -0.00191877 0.00140557 5*0.0 0.00116289 -0.00017336 0.0 0.00181888 -0.00100299
|
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5*0.0 -0.00008657 0.00006263 0.0 -0.00172155 0.00125215 5*0.0 0.00113564 -0.00016052 0.0 0.00159005 -0.00087251
|
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5*0.0 -0.00013804 0.00006094 0.0 -0.00154293 0.00111451 5*0.0 0.00110089 -0.00014822 0.0 0.00138647 -0.00075728
|
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5*0.0 -0.00017882 0.00005884 0.0 -0.00138135 0.00099114 5*0.0 0.00106041 -0.00013651 0.0 0.00120567 -0.00065568
|
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5*0.0 -0.00021037 0.00005645 0.0 -0.00123532 0.00088065 5*0.0 0.00101568 -0.00012542 0.0 0.00104540 -0.00056624
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5*0.0 -0.00023400 0.00005384 0.0 -0.00110351 0.00078178 5*0.0 0.00096798 -0.00011498 0.0 0.00090360 -0.00048764
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5*0.0 -0.00025090 0.00005109 0.0 -0.00098464 0.00069338 5*0.0 0.00091839 -0.00010518 0.0 0.00077837 -0.00041869
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5*0.0 -0.00026208 0.00004826 0.0 -0.00087756 0.00061442 5*0.0 0.00086780 -0.00009602 0.0 0.00066800 -0.00035832
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5*0.0 -0.00026845 0.00004541 0.0 -0.00078122 0.00054394 5*0.0 0.00081696 -0.00008749 0.0 0.00057094 -0.00030554
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5*0.0 -0.00027082 0.00004257 0.0 -0.00069462 0.00048109 5*0.0 0.00076649 -0.00007957 0.0 0.00048576 -0.00025951
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5*0.0 -0.00026988 0.00003977 0.0 -0.00061687 0.00042510 5*0.0 0.00071687 -0.00007224 0.0 0.00041118 -0.00021945
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5*0.0 -0.00026624 0.00003705 0.0 -0.00054713 0.00037525 5*0.0 0.00066852 -0.00006547 0.0 0.00034604 -0.00018465
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5*0.0 -0.00026042 0.00003441 0.0 -0.00048466 0.00033092 5*0.0 0.00062173 -0.00005924 0.0 0.00028929 -0.00015450
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5*0.0 -0.00025289 0.00003188 0.0 -0.00042875 0.00029152 5*0.0 0.00057673 -0.00005352 0.0 0.00023999 -0.00012844
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5*0.0 -0.00024403 0.00002946 0.0 -0.00037878 0.00025655 5*0.0 0.00053371 -0.00004827 0.0 0.00019729 -0.00010597
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5*0.0 -0.00023419 0.00002716 0.0 -0.00033416 0.00022552 5*0.0 0.00049278 -0.00004347 0.0 0.00016041 -0.00008666
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5*0.0 -0.00022364 0.00002499 0.0 -0.00029437 0.00019803 5*0.0 0.00045400 -0.00003909 0.0 0.00012868 -0.00007012
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5*0.0 -0.00021264 0.00002295 0.0 -0.00025893 0.00017369 5*0.0 0.00041741 -0.00003510 0.0 0.00010147 -0.00005600
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5*0.0 -0.00020137 0.00002103 0.0 -0.00022740 0.00015216 5*0.0 0.00038302 -0.00003148 0.0 0.00007825 -0.00004398
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5*0.0 -0.00019002 0.00001924 0.0 -0.00019938 0.00013314 5*0.0 0.00035080 -0.00002819 0.0 0.00005851 -0.00003380
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5*0.0 -0.00017872 0.00001757 0.0 -0.00017451 0.00011635 5*0.0 0.00032071 -0.00002521 0.0 0.00004182 -0.00002522
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5*0.0 -0.00016758 0.00001602 0.0 -0.00015247 0.00010154 5*0.0 0.00029268 -0.00002251 0.0 0.00002780 -0.00001802
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5*0.0 -0.00015670 0.00001459 0.0 -0.00013296 0.00008849 5*0.0 0.00026665 -0.00002007 0.0 0.00001609 -0.00001203
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5*0.0 -0.00014614 0.00001326 0.0 -0.00011571 0.00007701 5*0.0 0.00024254 -0.00001788 0.0 0.00000640 -0.00000706
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5*0.0 -0.00013596 0.00001203 0.0 -0.00010048 0.00006692 5*0.0 0.00022025 -0.00001590 0.0 -0.00000156 -0.00000298
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5*0.0 -0.00012620 0.00001091 0.0 -0.00008706 0.00005805 5*0.0 0.00019970 -0.00001412 0.0 -0.00000802 0.00000033
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5*0.0 -0.00011689 0.00000987 0.0 -0.00007525 0.00005028 5*0.0 0.00018080 -0.00001253 0.0 -0.00001319 0.00000300
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5*0.0 -0.00010804 0.00000892 0.0 -0.00006486 0.00004347 5*0.0 0.00016343 -0.00001110 0.0 -0.00001725 0.00000511
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5*0.0 -0.00009967 0.00000806 0.0 -0.00005575 0.00003751 5*0.0 0.00014752 -0.00000982 0.0 -0.00002037 0.00000674
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||||
5*0.0 -0.00009179 0.00000727 0.0 -0.00004777 0.00003230 5*0.0 0.00013296 -0.00000867 0.0 -0.00002269 0.00000799
|
||||
5*0.0 -0.00008437 0.00000654 0.0 -0.00004080 0.00002776 5*0.0 0.00011967 -0.00000765 0.0 -0.00002434 0.00000889
|
||||
5*0.0 -0.00007743 0.00000589 0.0 -0.00003471 0.00002380 5*0.0 0.00010755 -0.00000674 0.0 -0.00002542 0.00000952
|
||||
5*0.0 -0.00007094 0.00000529 0.0 -0.00002940 0.00002035 5*0.0 0.00009652 -0.00000593 0.0 -0.00002603 0.00000992
|
||||
5*0.0 -0.00006490 0.00000475 0.0 -0.00002479 0.00001736 5*0.0 0.00008651 -0.00000521 0.0 -0.00002625 0.00001012
|
||||
5*0.0 -0.00005928 0.00000426 0.0 -0.00002079 0.00001476 5*0.0 0.00007742 -0.00000457 0.0 -0.00002616 0.00001017
|
||||
5*0.0 -0.00005408 0.00000381 0.0 -0.00001733 0.00001251 5*0.0 0.00006919 -0.00000400 0.0 -0.00002580 0.00001009
|
||||
5*0.0 -0.00004926 0.00000341 0.0 -0.00001434 0.00001056 5*0.0 0.00006175 -0.00000349 0.0 -0.00002524 0.00000992
|
||||
5*0.0 -0.00004481 0.00000305 0.0 -0.00001177 0.00000888 5*0.0 0.00005503 -0.00000305 0.0 -0.00002452 0.00000966
|
||||
5*0.0 -0.00004070 0.00000272 0.0 -0.00000957 0.00000744 5*0.0 0.00004897 -0.00000266 0.0 -0.00002367 0.00000935
|
||||
5*0.0 -0.00003693 0.00000243 0.0 -0.00000768 0.00000619 5*0.0 0.00004351 -0.00000231 0.0 -0.00002273 0.00000899
|
||||
5*0.0 -0.00003346 0.00000216 0.0 -0.00000607 0.00000513 5*0.0 0.00003861 -0.00000201 0.0 -0.00002173 0.00000859
|
||||
5*0.0 -0.00003029 0.00000192 0.0 -0.00000470 0.00000422 5*0.0 0.00003421 -0.00000174 0.0 -0.00002069 0.00000818
|
||||
5*0.0 -0.00002738 0.00000171 0.0 -0.00000355 0.00000344 5*0.0 0.00003026 -0.00000150 0.0 -0.00001962 0.00000776
|
||||
5*0.0 -0.00002472 0.00000152 0.0 -0.00000258 0.00000278 5*0.0 0.00002672 -0.00000129 0.0 -0.00001855 0.00000733
|
||||
5*0.0 -0.00002229 0.00000135 0.0 -0.00000177 0.00000222 5*0.0 0.00002357 -0.00000111 0.0 -0.00001748 0.00000690
|
||||
5*0.0 -0.00002008 0.00000119 0.0 -0.00000109 0.00000175 5*0.0 0.00002075 -0.00000096 0.0 -0.00001643 0.00000647
|
||||
5*0.0 -0.00001807 0.00000106 0.0 -0.00000053 0.00000135 5*0.0 0.00001823 -0.00000082 0.0 -0.00001541 0.00000606
|
||||
5*0.0 -0.00001624 0.00000093 0.0 -0.00000008 0.00000101 5*0.0 0.00001599 -0.00000070 0.0 -0.00001441 0.00000566
|
||||
5*0.0 -0.00001458 0.00000083 0.0 0.00000029 0.00000074 5*0.0 0.00001400 -0.00000059 0.0 -0.00001345 0.00000527
|
||||
5*0.0 -0.00001308 0.00000073 0.0 0.00000058 0.00000051 5*0.0 0.00001224 -0.00000050 0.0 -0.00001253 0.00000490
|
||||
5*0.0 -0.00001172 0.00000064 0.0 0.00000081 0.00000032 5*0.0 0.00001067 -0.00000042 0.0 -0.00001165 0.00000454
|
||||
5*0.0 -0.00001049 0.00000057 0.0 0.00000099 0.00000016 5*0.0 0.00000929 -0.00000036 0.0 -0.00001082 0.00000421
|
||||
5*0.0 -0.00000937 0.00000050 0.0 0.00000112 0.00000004 5*0.0 0.00000806 -0.00000030 0.0 -0.00001003 0.00000389
|
||||
5*0.0 -0.00000837 0.00000044 0.0 0.00000121 -0.00000006 5*0.0 0.00000698 -0.00000025 0.0 -0.00000928 0.00000359
|
||||
5*0.0 -0.00000747 0.00000038 0.0 0.00000127 -0.00000014 5*0.0 0.00000603 -0.00000020 0.0 -0.00000857 0.00000331
|
||||
5*0.0 -0.00000665 0.00000034 0.0 0.00000131 -0.00000020 5*0.0 0.00000520 -0.00000017 0.0 -0.00000791 0.00000305
|
||||
5*0.0 -0.00000592 0.00000029 0.0 0.00000132 -0.00000025 5*0.0 0.00000446 -0.00000014 0.0 -0.00000729 0.00000280
|
||||
5*0.0 -0.00000526 0.00000026 0.0 0.00000132 -0.00000028 5*0.0 0.00000382 -0.00000011 0.0 -0.00000671 0.00000257
|
||||
5*0.0 -0.00000468 0.00000023 0.0 0.00000130 -0.00000031 5*0.0 0.00000326 -0.00000009 0.0 -0.00000617 0.00000236
|
||||
5*0.0 -0.00000415 0.00000020 0.0 0.00000127 -0.00000032 5*0.0 0.00000277 -0.00000007 0.0 -0.00000567 0.00000216
|
||||
5*0.0 -0.00000368 0.00000017 0.0 0.00000124 -0.00000033 5*0.0 0.00000234 -0.00000005 0.0 -0.00000520 0.00000197
|
||||
5*0.0 -0.00000325 0.00000015 0.0 0.00000119 -0.00000033 5*0.0 0.00000197 -0.00000004 0.0 -0.00000477 0.00000180
|
||||
5*0.0 -0.00000288 0.00000013 0.0 0.00000114 -0.00000033 5*0.0 0.00000165 -0.00000003 0.0 -0.00000436 0.00000165
|
||||
5*0.0 -0.00000254 0.00000011 0.0 0.00000109 -0.00000032 5*0.0 0.00000137 -0.00000002 0.0 -0.00000399 0.00000150
|
||||
5*0.0 -0.00000224 0.00000010 0.0 0.00000104 -0.00000031 5*0.0 0.00000113 -0.00000001 0.0 -0.00000365 0.00000137
|
||||
5*0.0 -0.00000197 0.00000008 0.0 0.00000098 -0.00000030 5*0.0 0.00000092 2*0.0 -0.00000333 0.00000125
|
||||
5*0.0 -0.00000173 0.00000007 0.0 0.00000093 -0.00000029 5*0.0 0.00000074 2*0.0 -0.00000304 0.00000114
|
||||
5*0.0 -0.00000152 0.00000006 0.0 0.00000087 -0.00000028 5*0.0 0.00000059 0.00000001 0.0 -0.00000277 0.00000103
|
||||
5*0.0 -0.00000134 0.00000005 0.0 0.00000082 -0.00000026 5*0.0 0.00000046 0.00000001 0.0 -0.00000253 0.00000094
|
||||
5*0.0 -0.00000117 0.00000005 0.0 0.00000077 -0.00000025 5*0.0 0.00000035 0.00000001 0.0 -0.00000230 0.00000085
|
||||
5*0.0 -0.00000102 0.00000004 0.0 0.00000071 -0.00000023 5*0.0 0.00000026 0.00000001 0.0 -0.00000209 0.00000077
|
||||
5*0.0 -0.00000089 0.00000003 0.0 0.00000067 -0.00000022 5*0.0 0.00000018 0.00000001 0.0 -0.00000190 0.00000070
|
||||
5*0.0 -0.00000078 0.00000003 0.0 0.00000062 -0.00000021 5*0.0 0.00000012 0.00000002 0.0 -0.00000173 0.00000063
|
||||
5*0.0 -0.00000068 0.00000002 0.0 0.00000057 -0.00000019 5*0.0 0.00000007 0.00000002 0.0 -0.00000157 0.00000057
|
||||
5*0.0 -0.00000059 0.00000002 0.0 0.00000053 -0.00000018 5*0.0 0.00000002 0.00000002 0.0 -0.00000143 0.00000052
|
||||
5*0.0 -0.00000051 0.00000002 0.0 0.00000049 -0.00000017 5*0.0 -0.00000001 0.00000002 0.0 -0.00000129 0.00000047
|
||||
5*0.0 -0.00000044 0.00000001 0.0 0.00000045 -0.00000015 5*0.0 -0.00000004 0.00000002 0.0 -0.00000117 0.00000042
|
||||
5*0.0 -0.00000038 0.00000001 0.0 0.00000042 -0.00000014 5*0.0 -0.00000006 0.00000002 0.0 -0.00000106 0.00000038
|
||||
5*0.0 -0.00000033 0.00000001 0.0 0.00000039 -0.00000013 5*0.0 -0.00000008 0.00000001 0.0 -0.00000096 0.00000035
|
||||
5*0.0 -0.00000028 0.00000001 0.0 0.00000036 -0.00000012 5*0.0 -0.00000010 0.00000001 0.0 -0.00000087 0.00000031
|
||||
5*0.0 -0.00000024 0.00000001 0.0 0.00000033 -0.00000011 5*0.0 -0.00000010 0.00000001 0.0 -0.00000079 0.00000028
|
||||
5*0.0 -0.00000021 0.00000001 0.0 0.00000030 -0.00000010 5*0.0 -0.00000011 0.00000001 0.0 -0.00000071 0.00000025
|
||||
5*0.0 -0.00000018 2*0.0 0.00000027 -0.00000009 5*0.0 -0.00000012 0.00000001 0.0 -0.00000064 0.00000023
|
||||
5*0.0 -0.00000015 2*0.0 0.00000025 -0.00000009 5*0.0 -0.00000012 0.00000001 0.0 -0.00000058 0.00000021
|
||||
5*0.0 -0.00000013 2*0.0 0.00000023 -0.00000008 5*0.0 -0.00000012 0.00000001 0.0 -0.00000052 0.00000019
|
||||
5*0.0 -0.00000011 2*0.0 0.00000021 -0.00000007 5*0.0 -0.00000012 0.00000001 0.0 -0.00000047 0.00000017
|
||||
5*0.0 -0.00000009 2*0.0 0.00000019 -0.00000007 5*0.0 -0.00000011 0.00000001 0.0 -0.00000043 0.00000015
|
||||
5*0.0 -0.00000007 2*0.0 0.00000018 -0.00000006 5*0.0 -0.00000011 0.00000001 0.0 -0.00000039 0.00000014
|
||||
5*0.0 -0.00000006 2*0.0 0.00000016 -0.00000005 5*0.0 -0.00000011 0.00000001 0.0 -0.00000035 0.00000012
|
||||
5*0.0 -0.00000005 2*0.0 0.00000015 -0.00000005 5*0.0 -0.00000010 0.00000001 0.0 -0.00000031 0.00000011
|
||||
5*0.0 -0.00000004 2*0.0 0.00000013 -0.00000005 5*0.0 -0.00000010 0.00000001 0.0 -0.00000028 0.00000010
|
||||
5*0.0 -0.00000003 2*0.0 0.00000012 -0.00000004 5*0.0 -0.00000009 0.00000001 0.0 -0.00000025 0.00000009
|
||||
5*0.0 -0.00000003 2*0.0 0.00000011 -0.00000004 5*0.0 -0.00000009 0.00000001 0.0 -0.00000023 0.00000008
|
||||
5*0.0 -0.00000002 2*0.0 0.00000010 -0.00000003 5*0.0 -0.00000008 0.00000001 0.0 -0.00000021 0.00000007
|
||||
5*0.0 -0.00000002 2*0.0 0.00000009 -0.00000003 5*0.0 -0.00000008 0.00000001 0.0 -0.00000018 0.00000006
|
||||
5*0.0 -0.00000001 2*0.0 0.00000008 -0.00000003 5*0.0 -0.00000008 2*0.0 -0.00000017 0.00000006
|
||||
5*0.0 -0.00000001 2*0.0 0.00000007 -0.00000003 5*0.0 -0.00000007 2*0.0 -0.00000015 0.00000005
|
||||
5*0.0 -0.00000001 2*0.0 0.00000007 -0.00000002 5*0.0 -0.00000007 2*0.0 -0.00000013 0.00000005
|
||||
202
tests/DFTB/nonscc/kk_exp
Normal file
202
tests/DFTB/nonscc/kk_exp
Normal file
|
|
@ -0,0 +1,202 @@
|
|||
0.1 200
|
||||
0.0000 0.176355 -0.085906 0.0 3*0.0 0.0 0.0 1.0 T F
|
||||
39.098 0.0002051 0.0003550 -0.000060 0.000001 0.000000 0.0000000 0.0 0.000000003 11.0 11.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 0.19745841 -0.43506171 0.0 -0.18233068 -0.42981504 5*0.0 0.87756784 0.95225167 0.0 0.05396204 0.96873467
|
||||
5*0.0 0.13977476 -0.31298189 0.0 -0.14439707 -0.37120422 5*0.0 0.83285182 0.93288611 0.0 0.06347117 0.95482628
|
||||
5*0.0 0.04828585 -0.24521155 0.0 -0.08741028 -0.31302942 5*0.0 0.78515100 0.91228576 0.0 0.07155476 0.93950070
|
||||
5*0.0 -0.01964832 -0.20857514 0.0 -0.04330741 -0.26686297 5*0.0 0.73382465 0.89050234 0.0 0.07916330 0.92337749
|
||||
5*0.0 -0.04808064 -0.18714848 0.0 -0.02193218 -0.23616482 5*0.0 0.67885151 0.86751758 0.0 0.08688260 0.90687555
|
||||
5*0.0 -0.04123102 -0.17159486 0.0 -0.02089834 -0.21877786 5*0.0 0.62087927 0.84335711 0.0 0.09487088 0.89018302
|
||||
5*0.0 -0.01055183 -0.15716976 0.0 -0.03337780 -0.21042916 5*0.0 0.56106590 0.81812820 0.0 0.10296784 0.87331396
|
||||
5*0.0 0.03144124 -0.14197348 0.0 -0.05216996 -0.20689671 5*0.0 0.50087441 0.79201989 0.0 0.11084100 0.85618857
|
||||
5*0.0 0.07405580 -0.12572035 0.0 -0.07143649 -0.20488450 5*0.0 0.44185725 0.76528530 0.0 0.11811381 0.83870280
|
||||
5*0.0 0.10974621 -0.10891879 0.0 -0.08725873 -0.20224534 5*0.0 0.38545657 0.73821603 0.0 0.12445869 0.82077585
|
||||
5*0.0 0.13439261 -0.09234765 0.0 -0.09759924 -0.19786378 5*0.0 0.33285124 0.71111470 0.0 0.12965271 0.80237540
|
||||
5*0.0 0.14681474 -0.07675046 0.0 -0.10193022 -0.19140946 5*0.0 0.28486915 0.68427041 0.0 0.13360002 0.78352544
|
||||
5*0.0 0.14788928 -0.06268949 0.0 -0.10073589 -0.18305880 5*0.0 0.24196397 0.65794002 0.0 0.13632858 0.76430233
|
||||
5*0.0 0.13962374 -0.05050563 0.0 -0.09504383 -0.17325476 5*0.0 0.20424144 0.63233617 0.0 0.13797051 0.74482384
|
||||
5*0.0 0.12442311 -0.04033842 0.0 -0.08607125 -0.16253191 5*0.0 0.17151538 0.60762173 0.0 0.13873419 0.72523546
|
||||
5*0.0 0.10464463 -0.03217187 0.0 -0.07500267 -0.15140970 5*0.0 0.14337617 0.58390928 0.0 0.13887486 0.70569626
|
||||
5*0.0 0.08234501 -0.02588304 0.0 -0.06287580 -0.14033798 5*0.0 0.11925946 0.56126427 0.0 0.13866774 0.68636636
|
||||
5*0.0 0.05910556 -0.02128210 0.0 -0.05053823 -0.12967711 5*0.0 0.09850781 0.53971035 0.0 0.13838582 0.66739680
|
||||
5*0.0 0.03628809 -0.01815079 0.0 -0.03864753 -0.11969699 5*0.0 0.08042274 0.51923590 0.0 0.13828303 0.64892216
|
||||
5*0.0 0.01477129 -0.01625782 0.0 -0.02768462 -0.11058430 5*0.0 0.06430652 0.49980082 0.0 0.13858248 0.63105577
|
||||
5*0.0 -0.00477721 -0.01537982 0.0 -0.01797593 -0.10245297 5*0.0 0.04949475 0.48134321 0.0 0.13946909 0.61388731
|
||||
5*0.0 -0.02197787 -0.01530797 0.0 -0.00971608 -0.09535531 5*0.0 0.03538106 0.46378561 0.0 0.14108577 0.59748223
|
||||
5*0.0 -0.03665226 -0.01585491 0.0 -0.00298959 -0.08929341 5*0.0 0.02143506 0.44704054 0.0 0.14353229 0.58188256
|
||||
5*0.0 -0.04878654 -0.01685762 0.0 0.00220780 -0.08422976 5*0.0 0.00721462 0.43101547 0.0 0.14686629 0.56710865
|
||||
5*0.0 -0.05849193 -0.01817822 0.0 0.00594824 -0.08009765 5*0.0 -0.00762695 0.41561697 0.0 0.15110567 0.55316154
|
||||
5*0.0 -0.06596528 -0.01970328 0.0 0.00835189 -0.07681081 5*0.0 -0.02333810 0.40075424 0.0 0.15623212 0.54002554
|
||||
5*0.0 -0.07145230 -0.02134195 0.0 0.00956854 -0.07427186 5*0.0 -0.04007029 0.38634192 0.0 0.16219527 0.52767088
|
||||
5*0.0 -0.07521584 -0.02302340 0.0 0.00976173 -0.07237953 5*0.0 -0.05788265 0.37230230 0.0 0.16891731 0.51605639
|
||||
5*0.0 -0.07751082 -0.02469378 0.0 0.00909600 -0.07103427 5*0.0 -0.07674952 0.35856687 0.0 0.17629789 0.50513185
|
||||
5*0.0 -0.07856666 -0.02631316 0.0 0.00772739 -0.07014238 5*0.0 -0.09657038 0.34507738 0.0 0.18421897 0.49484029
|
||||
5*0.0 -0.07857724 -0.02785254 0.0 0.00579735 -0.06961856 5*0.0 -0.11718138 0.33178633 0.0 0.19254962 0.48511997
|
||||
5*0.0 -0.07769741 -0.02929121 0.0 0.00342957 -0.06938725 5*0.0 -0.13836790 0.31865710 0.0 0.20115066 0.47590618
|
||||
5*0.0 -0.07604456 -0.03061455 0.0 0.00072916 -0.06938293 5*0.0 -0.15987752 0.30566365 0.0 0.20987889 0.46713277
|
||||
5*0.0 -0.07370389 -0.03181223 0.0 -0.00221640 -0.06954964 5*0.0 -0.18143295 0.29278995 0.0 0.21859107 0.45873359
|
||||
5*0.0 -0.07073560 -0.03287691 0.0 -0.00533533 -0.06984005 5*0.0 -0.20274422 0.28002913 0.0 0.22714735 0.45064362
|
||||
5*0.0 -0.06718276 -0.03380331 0.0 -0.00856894 -0.07021430 5*0.0 -0.22351998 0.26738252 0.0 0.23541428 0.44280003
|
||||
5*0.0 -0.06307892 -0.03458761 0.0 -0.01186907 -0.07063875 5*0.0 -0.24347760 0.25485850 0.0 0.24326738 0.43514303
|
||||
5*0.0 -0.05845463 -0.03522715 0.0 -0.01519560 -0.07108484 5*0.0 -0.26235168 0.24247133 0.0 0.25059316 0.42761658
|
||||
5*0.0 -0.05334264 -0.03572026 0.0 -0.01851439 -0.07152812 5*0.0 -0.27990108 0.23023996 0.0 0.25729068 0.42016900
|
||||
5*0.0 -0.04778158 -0.03606625 0.0 -0.02179563 -0.07194744 5*0.0 -0.29591442 0.21818685 0.0 0.26327264 0.41275341
|
||||
5*0.0 -0.04181812 -0.03626545 0.0 -0.02501266 -0.07232434 5*0.0 -0.31021391 0.20633685 0.0 0.26846615 0.40532807
|
||||
5*0.0 -0.03550780 -0.03631932 0.0 -0.02814117 -0.07264272 5*0.0 -0.32265780 0.19471613 0.0 0.27281294 0.39785658
|
||||
5*0.0 -0.02891480 -0.03623046 0.0 -0.03115873 -0.07288848 5*0.0 -0.33314147 0.18335129 0.0 0.27626941 0.39030802
|
||||
5*0.0 -0.02211080 -0.03600273 0.0 -0.03404459 -0.07304947 5*0.0 -0.34159729 0.17226850 0.0 0.27880623 0.38265694
|
||||
5*0.0 -0.01517323 -0.03564122 0.0 -0.03677965 -0.07311536 5*0.0 -0.34799348 0.16149275 0.0 0.28040781 0.37488331
|
||||
5*0.0 -0.00818318 -0.03515219 0.0 -0.03934655 -0.07307764 5*0.0 -0.35233214 0.15104732 0.0 0.28107148 0.36697236
|
||||
5*0.0 -0.00122307 -0.03454309 0.0 -0.04172979 -0.07292959 5*0.0 -0.35464659 0.14095325 0.0 0.28080654 0.35891436
|
||||
5*0.0 0.00562569 -0.03382237 0.0 -0.04391591 -0.07266627 5*0.0 -0.35499818 0.13122902 0.0 0.27963321 0.35070432
|
||||
5*0.0 0.01228482 -0.03299936 0.0 -0.04589366 -0.07228450 5*0.0 -0.35347277 0.12189023 0.0 0.27758139 0.34234169
|
||||
5*0.0 0.01868117 -0.03208413 0.0 -0.04765404 -0.07178278 5*0.0 -0.35017705 0.11294952 0.0 0.27468953 0.33382998
|
||||
5*0.0 0.02474837 -0.03108730 0.0 -0.04919047 -0.07116119 5*0.0 -0.34523474 0.10441643 0.0 0.27100332 0.32517637
|
||||
5*0.0 0.03042816 -0.03001984 0.0 -0.05049872 -0.07042130 5*0.0 -0.33878283 0.09629743 0.0 0.26657450 0.31639130
|
||||
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5*0.0 0.04043821 -0.02771768 0.0 -0.05242568 -0.06859961 5*0.0 -0.32194315 0.08131273 0.0 0.25571882 0.29848225
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||||
5*0.0 0.04469917 -0.02650510 0.0 -0.05304753 -0.06752712 5*0.0 -0.31186431 0.07444553 0.0 0.24941491 0.28939162
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||||
5*0.0 0.04843428 -0.02526584 0.0 -0.05344723 -0.06635469 5*0.0 -0.30088779 0.06798977 0.0 0.24261214 0.28023537
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||||
5*0.0 0.05163312 -0.02401010 0.0 -0.05363139 -0.06508912 5*0.0 -0.28916762 0.06193855 0.0 0.23537536 0.27103396
|
||||
5*0.0 0.05429421 -0.02274750 0.0 -0.05360832 -0.06373779 5*0.0 -0.27685339 0.05628294 0.0 0.22776912 0.26180861
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||||
5*0.0 0.05642420 -0.02148701 0.0 -0.05338779 -0.06230852 5*0.0 -0.26408847 0.05101220 0.0 0.21985694 0.25258107
|
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5*0.0 0.05803709 -0.02023685 0.0 -0.05298086 -0.06080941 5*0.0 -0.25100843 0.04611408 0.0 0.21170063 0.24337319
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||||
5*0.0 0.05915319 -0.01900447 0.0 -0.05239961 -0.05924873 5*0.0 -0.23773993 0.04157504 0.0 0.20335969 0.23420670
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5*0.0 0.05979816 -0.01779650 0.0 -0.05165697 -0.05763481 5*0.0 -0.22439985 0.03738048 0.0 0.19489087 0.22510295
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5*0.0 0.06000200 -0.01661874 0.0 -0.05076646 -0.05597591 5*0.0 -0.21109467 0.03351501 0.0 0.18634778 0.21608262
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5*0.0 0.05979802 -0.01547618 0.0 -0.04974200 -0.05428020 5*0.0 -0.19792017 0.02996266 0.0 0.17778052 0.20716558
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5*0.0 0.05922191 -0.01437301 0.0 -0.04859772 -0.05255559 5*0.0 -0.18496129 0.02670704 0.0 0.16923555 0.19837070
|
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5*0.0 0.05831090 -0.01331264 0.0 -0.04734779 -0.05080977 5*0.0 -0.17229220 0.02373158 0.0 0.16075544 0.18971569
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5*0.0 0.05710287 -0.01229775 0.0 -0.04600623 -0.04905007 5*0.0 -0.15997662 0.02101966 0.0 0.15237886 0.18121704
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5*0.0 0.05563572 -0.01133032 0.0 -0.04458676 -0.04728350 5*0.0 -0.14806809 0.01855478 0.0 0.14414050 0.17288987
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5*0.0 0.05394671 -0.01041173 0.0 -0.04310273 -0.04551663 5*0.0 -0.13661058 0.01632069 0.0 0.13607115 0.16474789
|
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5*0.0 0.05207196 -0.00954276 0.0 -0.04156692 -0.04375564 5*0.0 -0.12563896 0.01430146 0.0 0.12819770 0.15680340
|
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5*0.0 0.05004598 -0.00872366 0.0 -0.03999153 -0.04200627 5*0.0 -0.11517974 0.01248163 0.0 0.12054333 0.14906721
|
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5*0.0 0.04790138 -0.00795425 0.0 -0.03838808 -0.04027381 5*0.0 -0.10525168 0.01084626 0.0 0.11312760 0.14154868
|
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5*0.0 0.04566859 -0.00723392 0.0 -0.03676732 -0.03856310 5*0.0 -0.09586651 0.00938100 0.0 0.10596663 0.13425572
|
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5*0.0 0.04337565 -0.00656171 0.0 -0.03513923 -0.03687852 5*0.0 -0.08702968 0.00807213 0.0 0.09907334 0.12719483
|
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5*0.0 0.04104816 -0.00593638 0.0 -0.03351301 -0.03522403 5*0.0 -0.07874103 0.00690659 0.0 0.09245759 0.12037112
|
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5*0.0 0.03870916 -0.00535645 0.0 -0.03189700 -0.03360313 5*0.0 -0.07099552 0.00587204 0.0 0.08612644 0.11378841
|
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5*0.0 0.03637918 -0.00482021 0.0 -0.03029874 -0.03201891 5*0.0 -0.06378384 0.00495681 0.0 0.08008437 0.10744924
|
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5*0.0 0.03407626 -0.00432582 0.0 -0.02872495 -0.03047404 5*0.0 -0.05709312 0.00414999 0.0 0.07433353 0.10135497
|
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5*0.0 0.03181602 -0.00387134 0.0 -0.02718158 -0.02897080 5*0.0 -0.05090747 0.00344135 0.0 0.06887390 0.09550585
|
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5*0.0 0.02961177 -0.00345471 0.0 -0.02567377 -0.02751110 5*0.0 -0.04520855 0.00282135 0.0 0.06370362 0.08990110
|
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5*0.0 0.02747467 -0.00307386 0.0 -0.02420598 -0.02609649 5*0.0 -0.03997610 0.00228117 0.0 0.05881910 0.08453898
|
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5*0.0 0.02541381 -0.00272666 0.0 -0.02278193 -0.02472819 5*0.0 -0.03518838 0.00181261 0.0 0.05421532 0.07941687
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5*0.0 0.02343643 -0.00241103 0.0 -0.02140469 -0.02340712 5*0.0 -0.03082261 0.00140815 0.0 0.04988597 0.07453138
|
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5*0.0 0.02154803 -0.00212487 0.0 -0.02007673 -0.02213388 5*0.0 -0.02685534 0.00106085 0.0 0.04582369 0.06987840
|
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5*0.0 0.01975257 -0.00186615 0.0 -0.01879993 -0.02090885 5*0.0 -0.02326277 0.00076437 0.0 0.04202019 0.06545320
|
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5*0.0 0.01805260 -0.00163289 0.0 -0.01757568 -0.01973211 5*0.0 -0.02002105 0.00051294 0.0 0.03846649 0.06125051
|
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5*0.0 0.01644944 -0.00142315 0.0 -0.01640484 -0.01860356 5*0.0 -0.01710653 0.00030126 0.0 0.03515300 0.05726458
|
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5*0.0 0.01494333 -0.00123512 0.0 -0.01528788 -0.01752288 5*0.0 -0.01449594 0.00012458 0.0 0.03206972 0.05348924
|
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5*0.0 0.01353355 -0.00106701 0.0 -0.01422487 -0.01648956 5*0.0 -0.01216664 -0.00002143 0.0 0.02920633 0.04991802
|
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5*0.0 0.01221861 -0.00091717 0.0 -0.01321551 -0.01550296 5*0.0 -0.01009666 -0.00014068 0.0 0.02655232 0.04654416
|
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5*0.0 0.01099632 -0.00078401 0.0 -0.01225922 -0.01456226 5*0.0 -0.00826492 -0.00023664 0.0 0.02409710 0.04336071
|
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5*0.0 0.00986393 -0.00066604 0.0 -0.01135516 -0.01366654 5*0.0 -0.00665123 -0.00031248 0.0 0.02183007 0.04036056
|
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5*0.0 0.00881825 -0.00056188 0.0 -0.01050222 -0.01281476 5*0.0 -0.00523643 -0.00037097 0.0 0.01974071 0.03753648
|
||||
5*0.0 0.00785575 -0.00047021 0.0 -0.00969914 -0.01200580 5*0.0 -0.00400238 -0.00041462 0.0 0.01781866 0.03488123
|
||||
5*0.0 0.00697259 -0.00038982 0.0 -0.00894447 -0.01123845 5*0.0 -0.00293199 -0.00044564 0.0 0.01605377 0.03238752
|
||||
5*0.0 0.00616479 -0.00031959 0.0 -0.00823663 -0.01051145 5*0.0 -0.00200929 -0.00046598 0.0 0.01443613 0.03004812
|
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5*0.0 0.00542822 -0.00025849 0.0 -0.00757395 -0.00982348 5*0.0 -0.00121933 -0.00047735 0.0 0.01295616 0.02785585
|
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5*0.0 0.00475869 -0.00020555 0.0 -0.00695466 -0.00917319 5*0.0 -0.00054827 -0.00048129 0.0 0.01160458 0.02580361
|
||||
5*0.0 0.00415203 -0.00015991 0.0 -0.00637693 -0.00855920 5*0.0 0.00001674 -0.00047909 0.0 0.01037248 0.02388445
|
||||
5*0.0 0.00360407 -0.00012075 0.0 -0.00583891 -0.00798011 5*0.0 0.00048750 -0.00047192 0.0 0.00925135 0.02209156
|
||||
5*0.0 0.00311074 -0.00008735 0.0 -0.00533870 -0.00743452 5*0.0 0.00087489 -0.00046077 0.0 0.00823303 0.02041827
|
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5*0.0 0.00266805 -0.00005904 0.0 -0.00487443 -0.00692103 5*0.0 0.00118883 -0.00044650 0.0 0.00730981 0.01885813
|
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5*0.0 0.00227215 -0.00003521 0.0 -0.00444421 -0.00643822 5*0.0 0.00143838 -0.00042985 0.0 0.00647433 0.01740485
|
||||
5*0.0 0.00191934 -0.00001533 0.0 -0.00404618 -0.00598473 5*0.0 0.00163175 -0.00041144 0.0 0.00571968 0.01605237
|
||||
5*0.0 0.00160607 0.00000110 0.0 -0.00367852 -0.00555917 5*0.0 0.00177638 -0.00039182 0.0 0.00503933 0.01479485
|
||||
5*0.0 0.00132898 0.00001453 0.0 -0.00333944 -0.00516022 5*0.0 0.00187899 -0.00037143 0.0 0.00442714 0.01362664
|
||||
5*0.0 0.00108488 0.00002535 0.0 -0.00302721 -0.00478655 5*0.0 0.00194558 -0.00035064 0.0 0.00387737 0.01254236
|
||||
5*0.0 0.00087076 0.00003391 0.0 -0.00274013 -0.00443687 5*0.0 0.00198156 -0.00032977 0.0 0.00338465 0.01153683
|
||||
5*0.0 0.00068380 0.00004052 0.0 -0.00247658 -0.00410995 5*0.0 0.00199172 -0.00030907 0.0 0.00294397 0.01060511
|
||||
5*0.0 0.00052138 0.00004548 0.0 -0.00223500 -0.00380457 5*0.0 0.00198033 -0.00028875 0.0 0.00255067 0.00974248
|
||||
5*0.0 0.00038104 0.00004903 0.0 -0.00201389 -0.00351955 5*0.0 0.00195115 -0.00026896 0.0 0.00220044 0.00894447
|
||||
5*0.0 0.00026051 0.00005137 0.0 -0.00181181 -0.00325376 5*0.0 0.00190751 -0.00024983 0.0 0.00188928 0.00820681
|
||||
5*0.0 0.00015769 0.00005272 0.0 -0.00162741 -0.00300611 5*0.0 0.00185230 -0.00023147 0.0 0.00161348 0.00752547
|
||||
5*0.0 0.00007065 0.00005324 0.0 -0.00145939 -0.00277554 5*0.0 0.00178807 -0.00021393 0.0 0.00136964 0.00689661
|
||||
5*0.0 -0.00000238 0.00005307 0.0 -0.00130651 -0.00256106 5*0.0 0.00171700 -0.00019726 0.0 0.00115462 0.00631663
|
||||
5*0.0 -0.00006302 0.00005234 0.0 -0.00116764 -0.00236169 5*0.0 0.00164100 -0.00018149 0.0 0.00096555 0.00578212
|
||||
5*0.0 -0.00011274 0.00005116 0.0 -0.00104167 -0.00217651 5*0.0 0.00156168 -0.00016663 0.0 0.00079980 0.00528986
|
||||
5*0.0 -0.00015290 0.00004964 0.0 -0.00092757 -0.00200465 5*0.0 0.00148042 -0.00015268 0.0 0.00065493 0.00483682
|
||||
5*0.0 -0.00018470 0.00004784 0.0 -0.00082440 -0.00184526 5*0.0 0.00139838 -0.00013963 0.0 0.00052877 0.00442018
|
||||
5*0.0 -0.00020924 0.00004584 0.0 -0.00073123 -0.00169755 5*0.0 0.00131654 -0.00012746 0.0 0.00041930 0.00403726
|
||||
5*0.0 -0.00022750 0.00004371 0.0 -0.00064725 -0.00156076 5*0.0 0.00123569 -0.00011614 0.0 0.00032470 0.00368556
|
||||
5*0.0 -0.00024038 0.00004149 0.0 -0.00057166 -0.00143418 5*0.0 0.00115650 -0.00010564 0.0 0.00024332 0.00336275
|
||||
5*0.0 -0.00024865 0.00003921 0.0 -0.00050373 -0.00131712 5*0.0 0.00107947 -0.00009593 0.0 0.00017366 0.00306665
|
||||
5*0.0 -0.00025302 0.00003693 0.0 -0.00044279 -0.00120894 5*0.0 0.00100503 -0.00008697 0.0 0.00011437 0.00279521
|
||||
5*0.0 -0.00025411 0.00003465 0.0 -0.00038822 -0.00110904 5*0.0 0.00093348 -0.00007872 0.0 0.00006422 0.00254653
|
||||
5*0.0 -0.00025249 0.00003242 0.0 -0.00033942 -0.00101684 5*0.0 0.00086505 -0.00007115 0.0 0.00002212 0.00231884
|
||||
5*0.0 -0.00024862 0.00003024 0.0 -0.00029588 -0.00093181 5*0.0 0.00079990 -0.00006420 0.0 -0.00001292 0.00211050
|
||||
5*0.0 -0.00024293 0.00002814 0.0 -0.00025709 -0.00085343 5*0.0 0.00073812 -0.00005784 0.0 -0.00004179 0.00191997
|
||||
5*0.0 -0.00023580 0.00002611 0.0 -0.00022260 -0.00078125 5*0.0 0.00067975 -0.00005203 0.0 -0.00006528 0.00174582
|
||||
5*0.0 -0.00022755 0.00002417 0.0 -0.00019200 -0.00071480 5*0.0 0.00062479 -0.00004674 0.0 -0.00008409 0.00158674
|
||||
5*0.0 -0.00021846 0.00002232 0.0 -0.00016490 -0.00065366 5*0.0 0.00057321 -0.00004192 0.0 -0.00009885 0.00144150
|
||||
5*0.0 -0.00020876 0.00002058 0.0 -0.00014096 -0.00059746 5*0.0 0.00052494 -0.00003755 0.0 -0.00011013 0.00130898
|
||||
5*0.0 -0.00019866 0.00001893 0.0 -0.00011985 -0.00054582 5*0.0 0.00047990 -0.00003358 0.0 -0.00011843 0.00118811
|
||||
5*0.0 -0.00018832 0.00001738 0.0 -0.00010129 -0.00049840 5*0.0 0.00043797 -0.00002998 0.0 -0.00012417 0.00107794
|
||||
5*0.0 -0.00017791 0.00001592 0.0 -0.00008501 -0.00045488 5*0.0 0.00039904 -0.00002674 0.0 -0.00012776 0.00097757
|
||||
5*0.0 -0.00016753 0.00001457 0.0 -0.00007076 -0.00041496 5*0.0 0.00036297 -0.00002380 0.0 -0.00012952 0.00088617
|
||||
5*0.0 -0.00015729 0.00001330 0.0 -0.00005834 -0.00037837 5*0.0 0.00032963 -0.00002116 0.0 -0.00012977 0.00080299
|
||||
5*0.0 -0.00014727 0.00001213 0.0 -0.00004754 -0.00034484 5*0.0 0.00029889 -0.00001878 0.0 -0.00012876 0.00072731
|
||||
5*0.0 -0.00013753 0.00001104 0.0 -0.00003817 -0.00031414 5*0.0 0.00027058 -0.00001665 0.0 -0.00012672 0.00065851
|
||||
5*0.0 -0.00012812 0.00001003 0.0 -0.00003009 -0.00028604 5*0.0 0.00024458 -0.00001473 0.0 -0.00012385 0.00059597
|
||||
5*0.0 -0.00011908 0.00000911 0.0 -0.00002314 -0.00026034 5*0.0 0.00022074 -0.00001302 0.0 -0.00012033 0.00053917
|
||||
5*0.0 -0.00011044 0.00000825 0.0 -0.00001719 -0.00023685 5*0.0 0.00019891 -0.00001148 0.0 -0.00011629 0.00048759
|
||||
5*0.0 -0.00010221 0.00000747 0.0 -0.00001213 -0.00021538 5*0.0 0.00017897 -0.00001011 0.0 -0.00011187 0.00044078
|
||||
5*0.0 -0.00009441 0.00000675 0.0 -0.00000784 -0.00019577 5*0.0 0.00016078 -0.00000888 0.0 -0.00010718 0.00039831
|
||||
5*0.0 -0.00008703 0.00000609 0.0 -0.00000423 -0.00017787 5*0.0 0.00014422 -0.00000780 0.0 -0.00010231 0.00035980
|
||||
5*0.0 -0.00008009 0.00000549 0.0 -0.00000122 -0.00016154 5*0.0 0.00012916 -0.00000683 0.0 -0.00009733 0.00032490
|
||||
5*0.0 -0.00007358 0.00000494 0.0 0.00000127 -0.00014665 5*0.0 0.00011550 -0.00000597 0.0 -0.00009232 0.00029328
|
||||
5*0.0 -0.00006748 0.00000444 0.0 0.00000330 -0.00013308 5*0.0 0.00010311 -0.00000520 0.0 -0.00008733 0.00026464
|
||||
5*0.0 -0.00006178 0.00000399 0.0 0.00000495 -0.00012071 5*0.0 0.00009191 -0.00000453 0.0 -0.00008239 0.00023872
|
||||
5*0.0 -0.00005648 0.00000357 0.0 0.00000626 -0.00010945 5*0.0 0.00008179 -0.00000393 0.0 -0.00007755 0.00021526
|
||||
5*0.0 -0.00005155 0.00000320 0.0 0.00000727 -0.00009920 5*0.0 0.00007266 -0.00000341 0.0 -0.00007284 0.00019404
|
||||
5*0.0 -0.00004698 0.00000286 0.0 0.00000803 -0.00008988 5*0.0 0.00006444 -0.00000294 0.0 -0.00006828 0.00017485
|
||||
5*0.0 -0.00004275 0.00000256 0.0 0.00000858 -0.00008140 5*0.0 0.00005705 -0.00000253 0.0 -0.00006388 0.00015751
|
||||
5*0.0 -0.00003885 0.00000228 0.0 0.00000895 -0.00007369 5*0.0 0.00005041 -0.00000218 0.0 -0.00005966 0.00014184
|
||||
5*0.0 -0.00003525 0.00000203 0.0 0.00000917 -0.00006669 5*0.0 0.00004446 -0.00000186 0.0 -0.00005562 0.00012769
|
||||
5*0.0 -0.00003195 0.00000181 0.0 0.00000926 -0.00006033 5*0.0 0.00003914 -0.00000159 0.0 -0.00005178 0.00011492
|
||||
5*0.0 -0.00002891 0.00000161 0.0 0.00000925 -0.00005456 5*0.0 0.00003438 -0.00000135 0.0 -0.00004813 0.00010339
|
||||
5*0.0 -0.00002613 0.00000143 0.0 0.00000915 -0.00004932 5*0.0 0.00003013 -0.00000114 0.0 -0.00004468 0.00009299
|
||||
5*0.0 -0.00002358 0.00000126 0.0 0.00000897 -0.00004457 5*0.0 0.00002635 -0.00000096 0.0 -0.00004142 0.00008360
|
||||
5*0.0 -0.00002125 0.00000112 0.0 0.00000875 -0.00004026 5*0.0 0.00002299 -0.00000080 0.0 -0.00003835 0.00007515
|
||||
5*0.0 -0.00001913 0.00000099 0.0 0.00000848 -0.00003635 5*0.0 0.00002000 -0.00000067 0.0 -0.00003547 0.00006753
|
||||
5*0.0 -0.00001720 0.00000087 0.0 0.00000817 -0.00003282 5*0.0 0.00001736 -0.00000055 0.0 -0.00003276 0.00006066
|
||||
5*0.0 -0.00001544 0.00000077 0.0 0.00000784 -0.00002962 5*0.0 0.00001502 -0.00000045 0.0 -0.00003023 0.00005448
|
||||
5*0.0 -0.00001384 0.00000068 0.0 0.00000750 -0.00002672 5*0.0 0.00001295 -0.00000036 0.0 -0.00002787 0.00004891
|
||||
5*0.0 -0.00001239 0.00000059 0.0 0.00000714 -0.00002409 5*0.0 0.00001113 -0.00000029 0.0 -0.00002566 0.00004390
|
||||
5*0.0 -0.00001108 0.00000052 0.0 0.00000678 -0.00002172 5*0.0 0.00000952 -0.00000023 0.0 -0.00002361 0.00003939
|
||||
5*0.0 -0.00000990 0.00000046 0.0 0.00000642 -0.00001957 5*0.0 0.00000812 -0.00000017 0.0 -0.00002170 0.00003534
|
||||
5*0.0 -0.00000882 0.00000040 0.0 0.00000606 -0.00001764 5*0.0 0.00000688 -0.00000013 0.0 -0.00001992 0.00003169
|
||||
5*0.0 -0.00000786 0.00000035 0.0 0.00000570 -0.00001588 5*0.0 0.00000581 -0.00000009 0.0 -0.00001828 0.00002841
|
||||
5*0.0 -0.00000699 0.00000030 0.0 0.00000536 -0.00001430 5*0.0 0.00000487 -0.00000006 0.0 -0.00001676 0.00002547
|
||||
5*0.0 -0.00000621 0.00000026 0.0 0.00000502 -0.00001287 5*0.0 0.00000405 -0.00000003 0.0 -0.00001535 0.00002282
|
||||
5*0.0 -0.00000550 0.00000023 0.0 0.00000470 -0.00001158 5*0.0 0.00000334 -0.00000001 0.0 -0.00001405 0.00002044
|
||||
5*0.0 -0.00000487 0.00000020 0.0 0.00000439 -0.00001042 5*0.0 0.00000273 0.00000001 0.0 -0.00001286 0.00001831
|
||||
5*0.0 -0.00000431 0.00000017 0.0 0.00000409 -0.00000937 5*0.0 0.00000220 0.00000002 0.0 -0.00001175 0.00001639
|
||||
5*0.0 -0.00000380 0.00000015 0.0 0.00000381 -0.00000842 5*0.0 0.00000175 0.00000003 0.0 -0.00001073 0.00001468
|
||||
5*0.0 -0.00000335 0.00000013 0.0 0.00000354 -0.00000757 5*0.0 0.00000136 0.00000004 0.0 -0.00000980 0.00001313
|
||||
5*0.0 -0.00000295 0.00000011 0.0 0.00000329 -0.00000680 5*0.0 0.00000103 0.00000005 0.0 -0.00000894 0.00001175
|
||||
5*0.0 -0.00000259 0.00000009 0.0 0.00000305 -0.00000611 5*0.0 0.00000075 0.00000005 0.0 -0.00000815 0.00001051
|
||||
5*0.0 -0.00000227 0.00000008 0.0 0.00000282 -0.00000549 5*0.0 0.00000052 0.00000005 0.0 -0.00000742 0.00000940
|
||||
5*0.0 -0.00000198 0.00000007 0.0 0.00000261 -0.00000493 5*0.0 0.00000032 0.00000006 0.0 -0.00000676 0.00000841
|
||||
5*0.0 -0.00000173 0.00000006 0.0 0.00000241 -0.00000442 5*0.0 0.00000015 0.00000006 0.0 -0.00000615 0.00000751
|
||||
5*0.0 -0.00000151 0.00000005 0.0 0.00000222 -0.00000397 5*0.0 0.00000002 0.00000006 0.0 -0.00000559 0.00000672
|
||||
5*0.0 -0.00000131 0.00000004 0.0 0.00000205 -0.00000356 5*0.0 -0.00000009 0.00000006 0.0 -0.00000508 0.00000600
|
||||
5*0.0 -0.00000114 0.00000003 0.0 0.00000188 -0.00000319 5*0.0 -0.00000018 0.00000005 0.0 -0.00000462 0.00000536
|
||||
5*0.0 -0.00000098 0.00000003 0.0 0.00000173 -0.00000286 5*0.0 -0.00000025 0.00000005 0.0 -0.00000419 0.00000479
|
||||
5*0.0 -0.00000085 0.00000002 0.0 0.00000159 -0.00000256 5*0.0 -0.00000031 0.00000005 0.0 -0.00000381 0.00000427
|
||||
5*0.0 -0.00000073 0.00000002 0.0 0.00000146 -0.00000230 5*0.0 -0.00000035 0.00000005 0.0 -0.00000345 0.00000382
|
||||
5*0.0 -0.00000062 0.00000001 0.0 0.00000134 -0.00000206 5*0.0 -0.00000038 0.00000005 0.0 -0.00000313 0.00000341
|
||||
5*0.0 -0.00000053 0.00000001 0.0 0.00000123 -0.00000184 5*0.0 -0.00000040 0.00000005 0.0 -0.00000284 0.00000304
|
||||
5*0.0 -0.00000045 0.00000001 0.0 0.00000112 -0.00000165 5*0.0 -0.00000041 0.00000004 0.0 -0.00000257 0.00000271
|
||||
5*0.0 -0.00000038 0.00000001 0.0 0.00000103 -0.00000148 5*0.0 -0.00000042 0.00000004 0.0 -0.00000233 0.00000242
|
||||
5*0.0 -0.00000032 2*0.0 0.00000094 -0.00000132 5*0.0 -0.00000042 0.00000004 0.0 -0.00000211 0.00000216
|
||||
5*0.0 -0.00000027 2*0.0 0.00000086 -0.00000118 5*0.0 -0.00000041 0.00000004 0.0 -0.00000190 0.00000192
|
||||
5*0.0 -0.00000022 2*0.0 0.00000078 -0.00000106 5*0.0 -0.00000041 0.00000003 0.0 -0.00000172 0.00000171
|
||||
5*0.0 -0.00000018 2*0.0 0.00000072 -0.00000095 5*0.0 -0.00000040 0.00000003 0.0 -0.00000156 0.00000153
|
||||
5*0.0 -0.00000015 2*0.0 0.00000065 -0.00000085 5*0.0 -0.00000038 0.00000003 0.0 -0.00000141 0.00000136
|
||||
201
tests/DFTB/nonscc/licl_exp
Normal file
201
tests/DFTB/nonscc/licl_exp
Normal file
|
|
@ -0,0 +1,201 @@
|
|||
0.1 200
|
||||
0.0 0.013 -0.0015 0.002 5*0.0 5.45 6.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 0.69713568 0.65379354 0.0 0.16902525 -0.92277521 5*0.0 -0.86510359 -0.91972619 0.0 0.00497755 0.70540206
|
||||
5*0.0 0.67964074 0.66113293 0.0 0.05032376 -0.79322279 5*0.0 -0.81857609 -0.90431766 0.0 0.01109802 0.68759350
|
||||
5*0.0 0.63900976 0.66111967 0.0 -0.05671479 -0.67289253 5*0.0 -0.76237276 -0.88547117 0.0 0.01639116 0.66885732
|
||||
5*0.0 0.58047517 0.65395898 0.0 -0.14056457 -0.57367112 5*0.0 -0.69763395 -0.86335505 0.0 0.01948199 0.65038532
|
||||
5*0.0 0.50971182 0.64044982 0.0 -0.19835473 -0.49862138 5*0.0 -0.62580054 -0.83821601 0.0 0.01941798 0.63298609
|
||||
5*0.0 0.43187926 0.62164334 0.0 -0.23174278 -0.44612548 5*0.0 -0.54849764 -0.81036249 0.0 0.01568057 0.61709972
|
||||
5*0.0 0.35127417 0.59864433 0.0 -0.24440311 -0.41251256 5*0.0 -0.46743061 -0.78014687 0.0 0.00812824 0.60286517
|
||||
5*0.0 0.27127401 0.57250450 0.0 -0.24062037 -0.39354888 5*0.0 -0.38429993 -0.74794877 0.0 -0.00308632 0.59020278
|
||||
5*0.0 0.19440303 0.54417022 0.0 -0.22455483 -0.38520722 5*0.0 -0.30073550 -0.71416044 0.0 -0.01760054 0.57889199
|
||||
5*0.0 0.12244180 0.51446147 0.0 -0.19989506 -0.38401293 5*0.0 -0.21824802 -0.67917448 0.0 -0.03491609 0.56863521
|
||||
5*0.0 0.05654730 0.48406815 0.0 -0.16972728 -0.38715352 5*0.0 -0.13819459 -0.64337390 0.0 -0.05445880 0.55910598
|
||||
5*0.0 -0.00262977 0.45355582 0.0 -0.13652299 -0.39246375 5*0.0 -0.06175620 -0.60712430 0.0 -0.07562436 0.54998241
|
||||
5*0.0 -0.05483578 0.42337635 0.0 -0.10218766 -0.39835155 5*0.0 0.01007536 -0.57076780 0.0 -0.09781183 0.54096865
|
||||
5*0.0 -0.10011594 0.39388098 0.0 -0.06813700 -0.40370211 5*0.0 0.07650257 -0.53461867 0.0 -0.12044728 0.53180717
|
||||
5*0.0 -0.13872881 0.36533409 0.0 -0.03538138 -0.40778064 5*0.0 0.13692061 -0.49896027 0.0 -0.14299989 0.52228471
|
||||
5*0.0 -0.17107455 0.33792679 0.0 -0.00460716 -0.41014385 5*0.0 0.19091042 -0.46404320 0.0 -0.16499235 0.51223375
|
||||
5*0.0 -0.19763705 0.31178964 0.0 0.02375056 -0.41056480 5*0.0 0.23822723 -0.43008451 0.0 -0.18600710 0.50153130
|
||||
5*0.0 -0.21893951 0.28700420 0.0 0.04944632 -0.40897172 5*0.0 0.27878570 -0.39726766 0.0 -0.20568936 0.49009593
|
||||
5*0.0 -0.23551213 0.26361319 0.0 0.07237408 -0.40540019 5*0.0 0.31264259 -0.36574336 0.0 -0.22374788 0.47788391
|
||||
5*0.0 -0.24787008 0.24162907 0.0 0.09252757 -0.39995680 5*0.0 0.33997769 -0.33563090 0.0 -0.23995381 0.46488496
|
||||
5*0.0 -0.25649997 0.22104134 0.0 0.10996992 -0.39279239 5*0.0 0.36107404 -0.30701996 0.0 -0.25413818 0.45111768
|
||||
5*0.0 -0.26185270 0.20182242 0.0 0.12481091 -0.38408286 5*0.0 0.37629812 -0.27997283 0.0 -0.26618840 0.43662510
|
||||
5*0.0 -0.26434090 0.18393236 0.0 0.13719033 -0.37401578 5*0.0 0.38608046 -0.25452682 0.0 -0.27604380 0.42147036
|
||||
5*0.0 -0.26433938 0.16732253 0.0 0.14726606 -0.36278136 5*0.0 0.39089747 -0.23069686 0.0 -0.28369069 0.40573247
|
||||
5*0.0 -0.26218745 0.15193853 0.0 0.15520575 -0.35056651 5*0.0 0.39125465 -0.20847818 0.0 -0.28915697 0.38950243
|
||||
5*0.0 -0.25819196 0.13772233 0.0 0.16118095 -0.33755104 5*0.0 0.38767157 -0.18784894 0.0 -0.29250654 0.37287956
|
||||
5*0.0 -0.25263068 0.12461389 0.0 0.16536326 -0.32390536 5*0.0 0.38066876 -0.16877286 0.0 -0.29383366 0.35596819
|
||||
5*0.0 -0.24575543 0.11255239 0.0 0.16792156 -0.30978914 5*0.0 0.37075661 -0.15120166 0.0 -0.29325737 0.33887466
|
||||
5*0.0 -0.23779481 0.10147711 0.0 0.16902022 -0.29535049 5*0.0 0.35842621 -0.13507745 0.0 -0.29091612 0.32170467
|
||||
5*0.0 -0.22895648 0.09132808 0.0 0.16881780 -0.28072559 5*0.0 0.34414216 -0.12033484 0.0 -0.28696272 0.30456105
|
||||
5*0.0 -0.21942898 0.08204659 0.0 0.16746617 -0.26603853 5*0.0 0.32833710 -0.10690296 0.0 -0.28155963 0.28754183
|
||||
5*0.0 -0.20938311 0.07357547 0.0 0.16510983 -0.25140129 5*0.0 0.31140798 -0.09470714 0.0 -0.27487474 0.27073873
|
||||
5*0.0 -0.19897304 0.06585942 0.0 0.16188542 -0.23691385 5*0.0 0.29371364 -0.08367053 0.0 -0.26707756 0.25423600
|
||||
5*0.0 -0.18833718 0.05884515 0.0 0.15792137 -0.22266439 5*0.0 0.27557380 -0.07371542 0.0 -0.25833598 0.23810948
|
||||
5*0.0 -0.17759889 0.05248154 0.0 0.15333759 -0.20872960 5*0.0 0.25726900 -0.06476437 0.0 -0.24881344 0.22242614
|
||||
5*0.0 -0.16686718 0.04671975 0.0 0.14824535 -0.19517502 5*0.0 0.23904148 -0.05674119 0.0 -0.23866670 0.20724375
|
||||
5*0.0 -0.15623732 0.04151325 0.0 0.14274714 -0.18205557 5*0.0 0.22109673 -0.04957172 0.0 -0.22804392 0.19261080
|
||||
5*0.0 -0.14579151 0.03681791 0.0 0.13693675 -0.16941606 5*0.0 0.20360558 -0.04318443 0.0 -0.21708334 0.17856672
|
||||
5*0.0 -0.13559959 0.03259196 0.0 0.13089928 -0.15729183 5*0.0 0.18670667 -0.03751095 0.0 -0.20591226 0.16514212
|
||||
5*0.0 -0.12571978 0.02879606 0.0 0.12471137 -0.14570942 5*0.0 0.17050918 -0.03248637 0.0 -0.19464639 0.15235932
|
||||
5*0.0 -0.11619948 0.02539325 0.0 0.11844142 -0.13468731 5*0.0 0.15509567 -0.02804954 0.0 -0.18338954 0.14023285
|
||||
5*0.0 -0.10707610 0.02234888 0.0 0.11214989 -0.12423667 5*0.0 0.14052500 -0.02414315 0.0 -0.17223357 0.12877008
|
||||
5*0.0 -0.09837791 0.01963063 0.0 0.10588969 -0.11436215 5*0.0 0.12683522 -0.02071382 0.0 -0.16125854 0.11797194
|
||||
5*0.0 -0.09012493 0.01720841 0.0 0.09970660 -0.10506262 5*0.0 0.11404635 -0.01771214 0.0 -0.15053313 0.10783361
|
||||
5*0.0 -0.08232982 0.01505430 0.0 0.09363965 -0.09633193 5*0.0 0.10216300 -0.01509253 0.0 -0.14011512 0.09834517
|
||||
5*0.0 -0.07499868 0.01314246 0.0 0.08772171 -0.08815966 5*0.0 0.09117688 -0.01281317 0.0 -0.13005201 0.08949241
|
||||
5*0.0 -0.06813195 0.01144908 0.0 0.08197985 -0.08053177 5*0.0 0.08106911 -0.01083589 0.0 -0.12038177 0.08125740
|
||||
5*0.0 -0.06172517 0.00995223 0.0 0.07643593 -0.07343126 5*0.0 0.07181221 -0.00912595 0.0 -0.11113360 0.07361920
|
||||
5*0.0 -0.05576975 0.00863179 0.0 0.07110703 -0.06683881 5*0.0 0.06337209 -0.00765188 0.0 -0.10232870 0.06655446
|
||||
5*0.0 -0.05025366 0.00746939 0.0 0.06600598 -0.06073323 5*0.0 0.05570959 -0.00638528 0.0 -0.09398112 0.06003795
|
||||
5*0.0 -0.04516208 0.00644823 0.0 0.06114177 -0.05509203 5*0.0 0.04878200 -0.00530062 0.0 -0.08609853 0.05404308
|
||||
5*0.0 -0.04047801 0.00555305 0.0 0.05652002 -0.04989180 5*0.0 0.04254431 -0.00437502 0.0 -0.07868305 0.04854237
|
||||
5*0.0 -0.03618276 0.00476998 0.0 0.05214343 -0.04510864 5*0.0 0.03695023 -0.00358805 0.0 -0.07173194 0.04350784
|
||||
5*0.0 -0.03225645 0.00408647 0.0 0.04801211 -0.04071844 5*0.0 0.03195317 -0.00292152 0.0 -0.06523835 0.03891136
|
||||
5*0.0 -0.02867843 0.00349120 0.0 0.04412400 -0.03669717 5*0.0 0.02750689 -0.00235932 0.0 -0.05919197 0.03472500
|
||||
5*0.0 -0.02542762 0.00297395 0.0 0.04047519 -0.03302114 5*0.0 0.02356616 -0.00188719 0.0 -0.05357965 0.03092123
|
||||
5*0.0 -0.02248285 0.00252554 0.0 0.03706022 -0.02966719 5*0.0 0.02008724 -0.00149257 0.0 -0.04838596 0.02747317
|
||||
5*0.0 -0.01982309 0.00213774 0.0 0.03387238 -0.02661280 5*0.0 0.01702819 -0.00116443 0.0 -0.04359367 0.02435479
|
||||
5*0.0 -0.01742770 0.00180320 0.0 0.03090394 -0.02383630 5*0.0 0.01434921 -0.00089309 0.0 -0.03918425 0.02154099
|
||||
5*0.0 -0.01527658 0.00151533 0.0 0.02814637 -0.02131687 5*0.0 0.01201278 -0.00067012 0.0 -0.03513824 0.01900776
|
||||
5*0.0 -0.01335032 0.00126828 0.0 0.02559059 -0.01903467 5*0.0 0.00998376 -0.00048818 0.0 -0.03143560 0.01673225
|
||||
5*0.0 -0.01163035 0.00105686 0.0 0.02322707 -0.01697089 5*0.0 0.00822949 -0.00034090 0.0 -0.02805605 0.01469282
|
||||
5*0.0 -0.01009895 0.00087646 0.0 0.02104606 -0.01510773 5*0.0 0.00671979 -0.00022277 0.0 -0.02497927 0.01286904
|
||||
5*0.0 -0.00873938 0.00072300 0.0 0.01903765 -0.01342845 5*0.0 0.00542689 -0.00012905 0.0 -0.02218518 0.01124178
|
||||
5*0.0 -0.00753585 0.00059288 0.0 0.01719195 -0.01191735 5*0.0 0.00432540 -0.00005567 0.0 -0.01965409 0.00979310
|
||||
5*0.0 -0.00647359 0.00048293 0.0 0.01549913 -0.01055974 5*0.0 0.00339223 0.00000088 0.0 -0.01736685 0.00850634
|
||||
5*0.0 -0.00553883 0.00039037 0.0 0.01394954 -0.00934198 5*0.0 0.00260644 0.00004355 0.0 -0.01530500 0.00736602
|
||||
5*0.0 -0.00471878 0.00031277 0.0 0.01253376 -0.00825137 5*0.0 0.00194915 0.00007487 0.0 -0.01345082 0.00635782
|
||||
5*0.0 -0.00400163 0.00024798 0.0 0.01124263 -0.00727615 5*0.0 0.00140344 0.00009700 0.0 -0.01178740 0.00546853
|
||||
5*0.0 -0.00337649 0.00019414 0.0 0.01006735 -0.00640547 5*0.0 0.00095415 0.00011171 0.0 -0.01029872 0.00468605
|
||||
5*0.0 -0.00283340 0.00014965 0.0 0.00899945 -0.00562933 5*0.0 0.00058780 0.00012054 0.0 -0.00896967 0.00399925
|
||||
5*0.0 -0.00236324 0.00011308 0.0 0.00803087 -0.00493855 5*0.0 0.00029245 0.00012472 0.0 -0.00778604 0.00339797
|
||||
5*0.0 -0.00195771 0.00008324 0.0 0.00715392 -0.00432469 5*0.0 0.00005754 0.00012532 0.0 -0.00673453 0.00287298
|
||||
5*0.0 -0.00160927 0.00005905 0.0 0.00636133 -0.00378005 5*0.0 -0.00012619 0.00012320 0.0 -0.00580275 0.00241586
|
||||
5*0.0 -0.00131113 0.00003962 0.0 0.00564623 -0.00329759 5*0.0 -0.00026686 0.00011906 0.0 -0.00497921 0.00201900
|
||||
5*0.0 -0.00105715 0.00002418 0.0 0.00500218 -0.00287090 5*0.0 -0.00037155 0.00011348 0.0 -0.00425326 0.00167550
|
||||
5*0.0 -0.00084180 0.00001204 0.0 0.00442313 -0.00249414 5*0.0 -0.00044639 0.00010692 0.0 -0.00361508 0.00137916
|
||||
5*0.0 -0.00066015 0.00000266 0.0 0.00390343 -0.00216202 5*0.0 -0.00049669 0.00009975 0.0 -0.00305566 0.00112439
|
||||
5*0.0 -0.00050780 -0.00000447 0.0 0.00343780 -0.00186975 5*0.0 -0.00052700 0.00009228 0.0 -0.00256672 0.00090617
|
||||
5*0.0 -0.00038081 -0.00000975 0.0 0.00302137 -0.00161299 5*0.0 -0.00054123 0.00008472 0.0 -0.00214071 0.00072000
|
||||
5*0.0 -0.00027572 -0.00001352 0.0 0.00264958 -0.00138783 5*0.0 -0.00054269 0.00007724 0.0 -0.00177074 0.00056189
|
||||
5*0.0 -0.00018943 -0.00001608 0.0 0.00231826 -0.00119074 5*0.0 -0.00053419 0.00006999 0.0 -0.00145056 0.00042826
|
||||
5*0.0 -0.00011924 -0.00001767 0.0 0.00202354 -0.00101855 5*0.0 -0.00051808 0.00006305 0.0 -0.00117449 0.00031591
|
||||
5*0.0 -0.00006276 -0.00001850 0.0 0.00176185 -0.00086840 5*0.0 -0.00049634 0.00005650 0.0 -0.00093742 0.00022205
|
||||
5*0.0 -0.00001791 -0.00001874 0.0 0.00152993 -0.00073774 5*0.0 -0.00047060 0.00005036 0.0 -0.00073472 0.00014416
|
||||
5*0.0 0.00001714 -0.00001853 0.0 0.00132480 -0.00062428 5*0.0 -0.00044220 0.00004466 0.0 -0.00056223 0.00008006
|
||||
5*0.0 0.00004396 -0.00001797 0.0 0.00114372 -0.00052598 5*0.0 -0.00041223 0.00003942 0.0 -0.00041623 0.00002778
|
||||
5*0.0 0.00006394 -0.00001718 0.0 0.00098419 -0.00044102 5*0.0 -0.00038156 0.00003462 0.0 -0.00029338 -0.00001436
|
||||
5*0.0 0.00007826 -0.00001621 0.0 0.00084395 -0.00036777 5*0.0 -0.00035090 0.00003026 0.0 -0.00019071 -0.00004786
|
||||
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|
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|
||||
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|
||||
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|
||||
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|
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|
||||
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|
||||
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|
||||
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|
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|
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|
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|
||||
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|
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|
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|
||||
5*0.0 -0.00000097 0.00000015 0.0 -0.00001001 0.00000501 5*0.0 0.00000240 -0.00000017 0.0 0.00001962 -0.00000794
|
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5*0.0 -0.00000102 0.00000014 0.0 -0.00000922 0.00000456 5*0.0 0.00000225 -0.00000016 0.0 0.00001773 -0.00000712
|
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5*0.0 -0.00000105 0.00000013 0.0 -0.00000848 0.00000414 5*0.0 0.00000210 -0.00000014 0.0 0.00001600 -0.00000638
|
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|
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5*0.0 -0.00000105 0.00000011 0.0 -0.00000713 0.00000341 5*0.0 0.00000180 -0.00000011 0.0 0.00001300 -0.00000510
|
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5*0.0 -0.00000103 0.00000010 0.0 -0.00000653 0.00000309 5*0.0 0.00000165 -0.00000009 0.0 0.00001170 -0.00000456
|
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5*0.0 -0.00000101 0.00000010 0.0 -0.00000597 0.00000279 5*0.0 0.00000151 -0.00000008 0.0 0.00001053 -0.00000407
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|
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|
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5*0.0 -0.00000085 0.00000007 0.0 -0.00000410 0.00000185 5*0.0 0.00000102 -0.00000005 0.0 0.00000683 -0.00000257
|
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5*0.0 -0.00000080 0.00000006 0.0 -0.00000373 0.00000167 5*0.0 0.00000091 -0.00000004 0.0 0.00000612 -0.00000229
|
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5*0.0 -0.00000075 0.00000006 0.0 -0.00000338 0.00000150 5*0.0 0.00000082 -0.00000003 0.0 0.00000548 -0.00000203
|
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5*0.0 -0.00000070 0.00000005 0.0 -0.00000306 0.00000134 5*0.0 0.00000073 -0.00000003 0.0 0.00000490 -0.00000181
|
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5*0.0 -0.00000066 0.00000005 0.0 -0.00000277 0.00000121 5*0.0 0.00000064 -0.00000002 0.0 0.00000438 -0.00000160
|
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5*0.0 -0.00000061 0.00000004 0.0 -0.00000251 0.00000108 5*0.0 0.00000057 -0.00000002 0.0 0.00000391 -0.00000142
|
||||
5*0.0 -0.00000056 0.00000004 0.0 -0.00000226 0.00000097 5*0.0 0.00000050 -0.00000001 0.0 0.00000349 -0.00000126
|
||||
5*0.0 -0.00000052 0.00000003 0.0 -0.00000204 0.00000087 5*0.0 0.00000044 -0.00000001 0.0 0.00000312 -0.00000112
|
||||
5*0.0 -0.00000048 0.00000003 0.0 -0.00000184 0.00000078 5*0.0 0.00000038 -0.00000001 0.0 0.00000278 -0.00000099
|
||||
5*0.0 -0.00000044 0.00000003 0.0 -0.00000166 0.00000069 5*0.0 0.00000033 -0.00000001 0.0 0.00000248 -0.00000088
|
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5*0.0 -0.00000040 0.00000002 0.0 -0.00000149 0.00000062 5*0.0 0.00000028 2*0.0 0.00000221 -0.00000077
|
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5*0.0 -0.00000037 0.00000002 0.0 -0.00000134 0.00000055 5*0.0 0.00000024 2*0.0 0.00000196 -0.00000068
|
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5*0.0 -0.00000034 0.00000002 0.0 -0.00000121 0.00000049 5*0.0 0.00000020 2*0.0 0.00000174 -0.00000060
|
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5*0.0 -0.00000031 0.00000002 0.0 -0.00000108 0.00000044 5*0.0 0.00000017 2*0.0 0.00000155 -0.00000053
|
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5*0.0 -0.00000028 0.00000001 0.0 -0.00000097 0.00000039 5*0.0 0.00000014 2*0.0 0.00000138 -0.00000047
|
||||
5*0.0 -0.00000025 0.00000001 0.0 -0.00000087 0.00000035 5*0.0 0.00000012 2*0.0 0.00000122 -0.00000041
|
||||
5*0.0 -0.00000023 0.00000001 0.0 -0.00000078 0.00000031 5*0.0 0.00000010 2*0.0 0.00000108 -0.00000037
|
||||
5*0.0 -0.00000020 0.00000001 0.0 -0.00000070 0.00000028 5*0.0 0.00000008 2*0.0 0.00000096 -0.00000032
|
||||
5*0.0 -0.00000018 0.00000001 0.0 -0.00000063 0.00000025 5*0.0 0.00000006 2*0.0 0.00000085 -0.00000028
|
||||
5*0.0 -0.00000016 0.00000001 0.0 -0.00000056 0.00000022 5*0.0 0.00000004 2*0.0 0.00000075 -0.00000025
|
||||
5*0.0 -0.00000015 0.00000001 0.0 -0.00000050 0.00000019 5*0.0 0.00000003 2*0.0 0.00000067 -0.00000022
|
||||
5*0.0 -0.00000013 0.00000001 0.0 -0.00000045 0.00000017 5*0.0 0.00000002 2*0.0 0.00000059 -0.00000019
|
||||
5*0.0 -0.00000012 0.00000001 0.0 -0.00000040 0.00000015 5*0.0 0.00000001 2*0.0 0.00000052 -0.00000017
|
||||
5*0.0 -0.00000010 2*0.0 -0.00000036 0.00000013 8*0.0 0.00000046 -0.00000015
|
||||
5*0.0 -0.00000009 2*0.0 -0.00000032 0.00000012 8*0.0 0.00000041 -0.00000013
|
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5*0.0 -0.00000008 2*0.0 -0.00000028 0.00000011 5*0.0 -0.00000001 2*0.0 0.00000036 -0.00000011
|
||||
5*0.0 -0.00000007 2*0.0 -0.00000025 0.00000009 5*0.0 -0.00000001 2*0.0 0.00000032 -0.00000010
|
||||
5*0.0 -0.00000006 2*0.0 -0.00000022 0.00000008 5*0.0 -0.00000002 2*0.0 0.00000028 -0.00000009
|
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5*0.0 -0.00000006 2*0.0 -0.00000020 0.00000007 5*0.0 -0.00000002 2*0.0 0.00000025 -0.00000008
|
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5*0.0 -0.00000005 2*0.0 -0.00000018 0.00000006 5*0.0 -0.00000002 2*0.0 0.00000022 -0.00000007
|
||||
5*0.0 -0.00000004 2*0.0 -0.00000016 0.00000006 5*0.0 -0.00000002 2*0.0 0.00000019 -0.00000006
|
||||
5*0.0 -0.00000004 2*0.0 -0.00000014 0.00000005 5*0.0 -0.00000002 2*0.0 0.00000017 -0.00000005
|
||||
5*0.0 -0.00000003 2*0.0 -0.00000012 0.00000004 5*0.0 -0.00000002 2*0.0 0.00000015 -0.00000004
|
||||
5*0.0 -0.00000003 2*0.0 -0.00000011 0.00000004 5*0.0 -0.00000002 2*0.0 0.00000013 -0.00000004
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000010 0.00000003 5*0.0 -0.00000002 2*0.0 0.00000011 -0.00000003
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000009 0.00000003 5*0.0 -0.00000002 2*0.0 0.00000010 -0.00000003
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000008 0.00000003 5*0.0 -0.00000002 2*0.0 0.00000009 -0.00000003
|
||||
5*0.0 -0.00000002 2*0.0 -0.00000007 0.00000002 5*0.0 -0.00000002 2*0.0 0.00000008 -0.00000002
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000006 0.00000002 5*0.0 -0.00000002 2*0.0 0.00000007 -0.00000002
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000005 0.00000002 5*0.0 -0.00000002 2*0.0 0.00000006 -0.00000002
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000005 0.00000002 5*0.0 -0.00000002 2*0.0 0.00000005 -0.00000001
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000004 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000004 -0.00000001
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000004 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000004 -0.00000001
|
||||
5*0.0 -0.00000001 2*0.0 -0.00000003 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000003 -0.00000001
|
||||
8*0.0 -0.00000003 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000003 -0.00000001
|
||||
8*0.0 -0.00000002 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000003 -0.00000001
|
||||
8*0.0 -0.00000002 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000002 -0.00000001
|
||||
8*0.0 -0.00000002 0.00000001 5*0.0 -0.00000001 2*0.0 0.00000002 0.0
|
||||
8*0.0 -0.00000002 0.00000001 5*0.0 -0.00000001 2*0.0 0.00000002 0.0
|
||||
8*0.0 -0.00000001 6*0.0 -0.00000001 2*0.0 0.00000001 0.0
|
||||
8*0.0 -0.00000001 6*0.0 -0.00000001 2*0.0 0.00000001 0.0
|
||||
8*0.0 -0.00000001 6*0.0 -0.00000001 2*0.0 0.00000001 0.0
|
||||
8*0.0 -0.00000001 6*0.0 -0.00000001 2*0.0 0.00000001 0.0
|
||||
8*0.0 -0.00000001 6*0.0 -0.00000001 2*0.0 0.00000001 0.0
|
||||
8*0.0 -0.00000001 6*0.0 -0.00000001 2*0.0 0.00000001 0.0
|
||||
202
tests/DFTB/nonscc/lili_exp
Normal file
202
tests/DFTB/nonscc/lili_exp
Normal file
|
|
@ -0,0 +1,202 @@
|
|||
0.1 200
|
||||
0.0000 -0.041357 -0.106040 0.0 3*0.0 0.0 0.0 1.0 T F
|
||||
39.098 0.0030 0.00002 -0.000005 -0.000035 0.0000035 2*0.0 0.000000006 8.0 10.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -0.26235309 -0.29724487 0.0 0.16682649 -0.47289996 5*0.0 0.89687945 0.96511204 0.0 -0.04803644 0.96160926
|
||||
5*0.0 -0.23883271 -0.28793836 0.0 0.18317104 -0.40444694 5*0.0 0.84211778 0.94615516 0.0 -0.05372599 0.94324489
|
||||
5*0.0 -0.21452525 -0.27773103 0.0 0.19087950 -0.34371026 5*0.0 0.77811602 0.92360034 0.0 -0.05595339 0.92299438
|
||||
5*0.0 -0.19051805 -0.26697797 0.0 0.19145029 -0.29145481 5*0.0 0.70637597 0.89777533 0.0 -0.05456804 0.90150859
|
||||
5*0.0 -0.16759043 -0.25597315 0.0 0.18632952 -0.24749767 5*0.0 0.62849596 0.86903835 0.0 -0.04956906 0.87931449
|
||||
5*0.0 -0.14624374 -0.24495070 0.0 0.17684077 -0.21119419 5*0.0 0.54611904 0.83776893 0.0 -0.04108288 0.85682703
|
||||
5*0.0 -0.12673841 -0.23408887 0.0 0.16415563 -0.18170093 5*0.0 0.46088525 0.80435931 0.0 -0.02934200 0.83436600
|
||||
5*0.0 -0.10913538 -0.22351536 0.0 0.14928190 -0.15811727 5*0.0 0.37438849 0.76920643 0.0 -0.01466509 0.81217273
|
||||
5*0.0 -0.09334028 -0.21331361 0.0 0.13306136 -0.13956239 5*0.0 0.28813890 0.73270448 0.0 0.00256192 0.79042446
|
||||
5*0.0 -0.07914851 -0.20352959 0.0 0.11617477 -0.12521681 5*0.0 0.20353115 0.69523826 0.0 0.02190389 0.76924588
|
||||
5*0.0 -0.06628840 -0.19417890 0.0 0.09915316 -0.11434387 5*0.0 0.12181905 0.65717736 0.0 0.04289357 0.74871793
|
||||
5*0.0 -0.05446009 -0.18525369 0.0 0.08239392 -0.10629836 5*0.0 0.04409685 0.61887116 0.0 0.06504777 0.72888480
|
||||
5*0.0 -0.04336823 -0.17672937 0.0 0.06618018 -0.10052705 5*0.0 -0.02871311 0.58064476 0.0 0.08788234 0.70975951
|
||||
5*0.0 -0.03274723 -0.16857049 0.0 0.05070151 -0.09656364 5*0.0 -0.09586641 0.54279581 0.0 0.11092560 0.69132884
|
||||
5*0.0 -0.02237872 -0.16073599 0.0 0.03607414 -0.09402045 5*0.0 -0.15679693 0.50559220 0.0 0.13373006 0.67355779
|
||||
5*0.0 -0.01210173 -0.15318345 0.0 0.02235951 -0.09257826 5*0.0 -0.21111214 0.46927062 0.0 0.15588225 0.65639391
|
||||
5*0.0 -0.00181636 -0.14587239 0.0 0.00958022 -0.09197592 5*0.0 -0.25858411 0.43403590 0.0 0.17701046 0.63977151
|
||||
5*0.0 0.00851794 -0.13876673 0.0 -0.00226701 -0.09200026 5*0.0 -0.29913699 0.40006102 0.0 0.19679045 0.62361572
|
||||
5*0.0 0.01888806 -0.13183634 0.0 -0.01320121 -0.09247721 5*0.0 -0.33283197 0.36748779 0.0 0.21494917 0.60784641
|
||||
5*0.0 0.02923567 -0.12505793 0.0 -0.02324990 -0.09326415 5*0.0 -0.35985030 0.33642801 0.0 0.23126656 0.59238176
|
||||
5*0.0 0.03946732 -0.11841527 0.0 -0.03244392 -0.09424378 5*0.0 -0.38047540 0.30696512 0.0 0.24557573 0.57714156
|
||||
5*0.0 0.04946515 -0.11189902 0.0 -0.04081429 -0.09531922 5*0.0 -0.39507446 0.27915611 0.0 0.25776160 0.56205000
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||||
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5*0.0 0.11087318 -0.05491299 0.0 -0.08474806 -0.09930874 5*0.0 -0.31740472 0.09037016 0.0 0.26721687 0.40898725
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5*0.0 0.11170492 -0.05029400 0.0 -0.08566129 -0.09846115 5*0.0 -0.29815484 0.07930911 0.0 0.25937660 0.39316799
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5*0.0 0.11158309 -0.04591521 0.0 -0.08604354 -0.09736503 5*0.0 -0.27849462 0.06937249 0.0 0.25057531 0.37732105
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5*0.0 0.11057224 -0.04178195 0.0 -0.08592681 -0.09602907 5*0.0 -0.25872464 0.06047829 0.0 0.24098105 0.36148433
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5*0.0 0.10874881 -0.03789716 0.0 -0.08534532 -0.09446476 5*0.0 -0.23910514 0.05254570 0.0 0.23075557 0.34569906
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5*0.0 0.10619800 -0.03426148 0.0 -0.08433525 -0.09268584 5*0.0 -0.21985719 0.04549601 0.0 0.22005229 0.33000857
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5*0.0 0.10301073 -0.03087331 0.0 -0.08293441 -0.09070789 5*0.0 -0.20116458 0.03925323 0.0 0.20901469 0.31445728
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5*0.0 0.09928081 -0.02772901 0.0 -0.08118175 -0.08854791 5*0.0 -0.18317612 0.03374467 0.0 0.19777513 0.29908958
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5*0.0 0.09510241 -0.02482310 0.0 -0.07911697 -0.08622396 5*0.0 -0.16600831 0.02890131 0.0 0.18645405 0.28394903
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5*0.0 0.09056783 -0.02214846 0.0 -0.07677997 -0.08375478 5*0.0 -0.14974829 0.02465811 0.0 0.17515951 0.26907750
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5*0.0 0.08576564 -0.01969660 0.0 -0.07421039 -0.08115955 5*0.0 -0.13445688 0.02095415 0.0 0.16398704 0.25451456
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5*0.0 0.08077919 -0.01745788 0.0 -0.07144713 -0.07845755 5*0.0 -0.12017163 0.01773277 0.0 0.15301973 0.24029688
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5*0.0 0.07568548 -0.01542179 0.0 -0.06852791 -0.07566793 5*0.0 -0.10690988 0.01494153 0.0 0.14232859 0.22645782
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5*0.0 0.07055431 -0.01357716 0.0 -0.06548886 -0.07280949 5*0.0 -0.09467168 0.01253221 0.0 0.13197301 0.21302715
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5*0.0 0.06544781 -0.01191239 0.0 -0.06236418 -0.06990050 5*0.0 -0.08344257 0.01046066 0.0 0.12200143 0.20003076
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5*0.0 0.06042020 -0.01041564 0.0 -0.05918587 -0.06695852 5*0.0 -0.07319616 0.00868667 0.0 0.11245204 0.18749059
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5*0.0 0.05551777 -0.00907500 0.0 -0.05598351 -0.06400025 5*0.0 -0.06389653 0.00717381 0.0 0.10335366 0.17542459
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5*0.0 0.05077909 -0.00787869 0.0 -0.05278406 -0.06104143 5*0.0 -0.05550037 0.00588921 0.0 0.09472651 0.16384674
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5*0.0 0.04623533 -0.00681513 0.0 -0.04961179 -0.05809673 5*0.0 -0.04795893 0.00480337 0.0 0.08658318 0.15276717
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5*0.0 0.04191075 -0.00587311 0.0 -0.04648826 -0.05517969 5*0.0 -0.04121970 0.00388989 0.0 0.07892941 0.14219229
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5*0.0 0.03782322 -0.00504184 0.0 -0.04343225 -0.05230266 5*0.0 -0.03522786 0.00312527 0.0 0.07176505 0.13212502
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5*0.0 0.03398483 -0.00431104 0.0 -0.04045989 -0.04947680 5*0.0 -0.02992758 0.00248871 0.0 0.06508482 0.12256502
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5*0.0 0.03040257 -0.00367098 0.0 -0.03758471 -0.04671202 5*0.0 -0.02526307 0.00196181 0.0 0.05887910 0.11350893
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5*0.0 0.02707888 -0.00311253 0.0 -0.03481775 -0.04401702 5*0.0 -0.02117940 0.00152841 0.0 0.05313472 0.10495064
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5*0.0 0.02401239 -0.00262716 0.0 -0.03216776 -0.04139931 5*0.0 -0.01762327 0.00117438 0.0 0.04783558 0.09688162
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5*0.0 0.02119846 -0.00220697 0.0 -0.02964129 -0.03886523 5*0.0 -0.01454349 0.00088738 0.0 0.04296329 0.08929118
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5*0.0 0.01862976 -0.00184465 0.0 -0.02724293 -0.03642000 5*0.0 -0.01189145 0.00065670 0.0 0.03849777 0.08216673
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5*0.0 0.01629685 -0.00153355 0.0 -0.02497548 -0.03406777 5*0.0 -0.00962135 0.00047310 0.0 0.03441769 0.07549411
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5*0.0 0.01418863 -0.00126754 0.0 -0.02284013 -0.03181170 5*0.0 -0.00769045 0.00032862 0.0 0.03070096 0.06925785
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5*0.0 0.01229278 -0.00104112 0.0 -0.02083666 -0.02965400 5*0.0 -0.00605914 0.00021643 0.0 0.02732509 0.06344139
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5*0.0 0.01059618 -0.00084928 0.0 -0.01896361 -0.02759602 5*0.0 -0.00469098 0.00013072 0.0 0.02426753 0.05802738
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5*0.0 0.00908521 -0.00068754 0.0 -0.01721849 -0.02563832 5*0.0 -0.00355266 0.00006656 0.0 0.02150593 0.05299784
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5*0.0 0.00774604 -0.00055188 0.0 -0.01559790 -0.02378075 5*0.0 -0.00261397 0.00001978 0.0 0.01901841 0.04833443
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5*0.0 0.00656491 -0.00043872 0.0 -0.01409774 -0.02202250 5*0.0 -0.00184761 -0.00001312 0.0 0.01678371 0.04401859
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5*0.0 0.00552831 -0.00034489 0.0 -0.01271333 -0.02036221 5*0.0 -0.00122911 -0.00003506 0.0 0.01478136 0.04003173
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5*0.0 0.00462311 -0.00026760 0.0 -0.01143953 -0.01879801 5*0.0 -0.00073666 -0.00004846 0.0 0.01299177 0.03635535
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5*0.0 0.00383674 -0.00020439 0.0 -0.01027089 -0.01732762 5*0.0 -0.00035090 -0.00005533 0.0 0.01139638 0.03297122
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5*0.0 0.00315724 -0.00015310 0.0 -0.00920173 -0.01594839 5*0.0 -0.00005480 -0.00005728 0.0 0.00997761 0.02986145
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5*0.0 0.00257338 -0.00011186 0.0 -0.00822627 -0.01465737 5*0.0 0.00016660 -0.00005565 0.0 0.00871900 0.02700859
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5*0.0 0.00207462 -0.00007903 0.0 -0.00733866 -0.01345137 5*0.0 0.00032630 -0.00005151 0.0 0.00760515 0.02439573
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5*0.0 0.00165123 -0.00005321 0.0 -0.00653310 -0.01232701 5*0.0 0.00043558 -0.00004569 0.0 0.00662177 0.02200655
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5*0.0 0.00129423 -0.00003320 0.0 -0.00580387 -0.01128078 5*0.0 0.00050413 -0.00003887 0.0 0.00575560 0.01982535
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5*0.0 0.00099538 -0.00001796 0.0 -0.00514539 -0.01030907 5*0.0 0.00054024 -0.00003155 0.0 0.00499446 0.01783714
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5*0.0 0.00074723 -0.00000661 0.0 -0.00455226 -0.00940821 5*0.0 0.00055095 -0.00002413 0.0 0.00432714 0.01602760
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5*0.0 0.00054302 0.00000159 0.0 -0.00401929 -0.00857452 5*0.0 0.00054218 -0.00001688 0.0 0.00374342 0.01438315
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5*0.0 0.00037666 0.00000728 0.0 -0.00354152 -0.00780433 5*0.0 0.00051888 -0.00001003 0.0 0.00323398 0.01289095
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5*0.0 0.00024272 0.00001099 0.0 -0.00311424 -0.00709400 5*0.0 0.00048516 -0.00000370 0.0 0.00279035 0.01153888
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5*0.0 0.00013639 0.00001314 0.0 -0.00273300 -0.00643996 5*0.0 0.00044437 0.00000202 0.0 0.00240489 0.01031552
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5*0.0 0.00005338 0.00001410 0.0 -0.00239363 -0.00583874 5*0.0 0.00039925 0.00000708 0.0 0.00207069 0.00921020
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5*0.0 -0.00001006 0.00001417 0.0 -0.00209222 -0.00528693 5*0.0 0.00035195 0.00001147 0.0 0.00178157 0.00821293
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5*0.0 -0.00005720 0.00001360 0.0 -0.00182513 -0.00478126 5*0.0 0.00030420 0.00001519 0.0 0.00153196 0.00731439
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5*0.0 -0.00009090 0.00001257 0.0 -0.00158899 -0.00431858 5*0.0 0.00025732 0.00001828 0.0 0.00131692 0.00650590
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5*0.0 -0.00011364 0.00001124 0.0 -0.00138069 -0.00389586 5*0.0 0.00021228 0.00002077 0.0 0.00113202 0.00577943
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5*0.0 -0.00012753 0.00000973 0.0 -0.00119735 -0.00351022 5*0.0 0.00016980 0.00002270 0.0 0.00097335 0.00512754
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5*0.0 -0.00013438 0.00000815 0.0 -0.00103634 -0.00315892 5*0.0 0.00013038 0.00002413 0.0 0.00083744 0.00454335
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5*0.0 -0.00013573 0.00000655 0.0 -0.00089526 -0.00283934 5*0.0 0.00009430 0.00002510 0.0 0.00072124 0.00402051
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5*0.0 -0.00013287 0.00000500 0.0 -0.00077192 -0.00254903 5*0.0 0.00006173 0.00002568 0.0 0.00062204 0.00355321
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5*0.0 -0.00012687 0.00000353 0.0 -0.00066433 -0.00228567 5*0.0 0.00003271 0.00002591 0.0 0.00053748 0.00313608
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5*0.0 -0.00011864 0.00000217 0.0 -0.00057070 -0.00204708 5*0.0 0.00000718 0.00002585 0.0 0.00046551 0.00276424
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5*0.0 -0.00010891 0.00000094 0.0 -0.00048939 -0.00183122 5*0.0 -0.00001496 0.00002553 0.0 0.00040431 0.00243319
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5*0.0 -0.00009826 -0.00000016 0.0 -0.00041895 -0.00163618 5*0.0 -0.00003390 0.00002500 0.0 0.00035231 0.00213884
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5*0.0 -0.00008717 -0.00000113 0.0 -0.00035806 -0.00146019 5*0.0 -0.00004984 0.00002430 0.0 0.00030816 0.00187747
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5*0.0 -0.00007601 -0.00000196 0.0 -0.00030555 -0.00130158 5*0.0 -0.00006300 0.00002347 0.0 0.00027067 0.00164568
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5*0.0 -0.00006508 -0.00000266 0.0 -0.00026037 -0.00115882 5*0.0 -0.00007362 0.00002253 0.0 0.00023883 0.00144041
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5*0.0 -0.00005457 -0.00000323 0.0 -0.00022159 -0.00103050 5*0.0 -0.00008194 0.00002151 0.0 0.00021178 0.00125884
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5*0.0 -0.00004466 -0.00000370 0.0 -0.00018837 -0.00091529 5*0.0 -0.00008821 0.00002044 0.0 0.00018876 0.00109847
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5*0.0 -0.00003545 -0.00000406 0.0 -0.00015999 -0.00081198 5*0.0 -0.00009265 0.00001934 0.0 0.00016913 0.00095701
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5*0.0 -0.00002699 -0.00000432 0.0 -0.00013580 -0.00071947 5*0.0 -0.00009550 0.00001823 0.0 0.00015234 0.00083239
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5*0.0 -0.00001933 -0.00000451 0.0 -0.00011524 -0.00063672 5*0.0 -0.00009697 0.00001712 0.0 0.00013795 0.00072277
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5*0.0 -0.00001248 -0.00000461 0.0 -0.00009778 -0.00056279 5*0.0 -0.00009725 0.00001602 0.0 0.00012555 0.00062647
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5*0.0 -0.00000642 -0.00000466 0.0 -0.00008301 -0.00049683 5*0.0 -0.00009652 0.00001494 0.0 0.00011482 0.00054200
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5*0.0 -0.00000112 -0.00000465 0.0 -0.00007054 -0.00043804 5*0.0 -0.00009496 0.00001390 0.0 0.00010548 0.00046801
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5*0.0 0.00000344 -0.00000460 0.0 -0.00006002 -0.00038572 5*0.0 -0.00009270 0.00001289 0.0 0.00009729 0.00040330
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5*0.0 0.00000733 -0.00000450 0.0 -0.00005118 -0.00033920 5*0.0 -0.00008989 0.00001193 0.0 0.00009007 0.00034679
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5*0.0 0.00001057 -0.00000438 0.0 -0.00004376 -0.00029790 5*0.0 -0.00008665 0.00001101 0.0 0.00008366 0.00029752
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5*0.0 0.00001324 -0.00000423 0.0 -0.00003755 -0.00026128 5*0.0 -0.00008308 0.00001014 0.0 0.00007792 0.00025463
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5*0.0 0.00001537 -0.00000406 0.0 -0.00003235 -0.00022884 5*0.0 -0.00007927 0.00000931 0.0 0.00007273 0.00021735
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5*0.0 0.00001704 -0.00000388 0.0 -0.00002801 -0.00020014 5*0.0 -0.00007531 0.00000854 0.0 0.00006803 0.00018502
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5*0.0 0.00001828 -0.00000369 0.0 -0.00002439 -0.00017479 5*0.0 -0.00007126 0.00000782 0.0 0.00006371 0.00015702
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5*0.0 0.00001915 -0.00000349 0.0 -0.00002136 -0.00015242 5*0.0 -0.00006718 0.00000714 0.0 0.00005974 0.00013282
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5*0.0 0.00001969 -0.00000329 0.0 -0.00001884 -0.00013271 5*0.0 -0.00006311 0.00000651 0.0 0.00005606 0.00011194
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5*0.0 0.00001996 -0.00000310 0.0 -0.00001674 -0.00011536 5*0.0 -0.00005911 0.00000593 0.0 0.00005263 0.00009397
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5*0.0 0.00001998 -0.00000290 0.0 -0.00001497 -0.00010011 5*0.0 -0.00005520 0.00000539 0.0 0.00004942 0.00007854
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5*0.0 0.00001980 -0.00000270 0.0 -0.00001350 -0.00008672 5*0.0 -0.00005141 0.00000489 0.0 0.00004640 0.00006531
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5*0.0 0.00001946 -0.00000252 0.0 -0.00001225 -0.00007499 5*0.0 -0.00004775 0.00000443 0.0 0.00004356 0.00005401
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5*0.0 0.00001898 -0.00000234 0.0 -0.00001120 -0.00006472 5*0.0 -0.00004425 0.00000401 0.0 0.00004087 0.00004437
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5*0.0 0.00001838 -0.00000216 0.0 -0.00001030 -0.00005575 5*0.0 -0.00004091 0.00000363 0.0 0.00003833 0.00003618
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5*0.0 0.00001771 -0.00000200 0.0 -0.00000953 -0.00004792 5*0.0 -0.00003775 0.00000328 0.0 0.00003592 0.00002924
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5*0.0 0.00001697 -0.00000184 0.0 -0.00000887 -0.00004109 5*0.0 -0.00003476 0.00000296 0.0 0.00003364 0.00002338
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5*0.0 0.00001618 -0.00000169 0.0 -0.00000828 -0.00003516 5*0.0 -0.00003194 0.00000266 0.0 0.00003147 0.00001844
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5*0.0 0.00001536 -0.00000155 0.0 -0.00000777 -0.00003000 5*0.0 -0.00002930 0.00000240 0.0 0.00002942 0.00001431
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5*0.0 0.00001453 -0.00000142 0.0 -0.00000730 -0.00002553 5*0.0 -0.00002684 0.00000216 0.0 0.00002747 0.00001087
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5*0.0 0.00001369 -0.00000130 0.0 -0.00000688 -0.00002166 5*0.0 -0.00002454 0.00000194 0.0 0.00002563 0.00000801
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5*0.0 0.00001286 -0.00000118 0.0 -0.00000650 -0.00001831 5*0.0 -0.00002240 0.00000174 0.0 0.00002388 0.00000565
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5*0.0 0.00001204 -0.00000108 0.0 -0.00000615 -0.00001543 5*0.0 -0.00002042 0.00000156 0.0 0.00002223 0.00000372
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5*0.0 0.00001124 -0.00000098 0.0 -0.00000582 -0.00001295 5*0.0 -0.00001859 0.00000140 0.0 0.00002067 0.00000215
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5*0.0 0.00001046 -0.00000089 0.0 -0.00000551 -0.00001082 5*0.0 -0.00001690 0.00000125 0.0 0.00001920 0.00000089
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5*0.0 0.00000971 -0.00000081 0.0 -0.00000521 -0.00000900 5*0.0 -0.00001534 0.00000112 0.0 0.00001782 -0.00000011
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5*0.0 0.00000900 -0.00000073 0.0 -0.00000493 -0.00000744 5*0.0 -0.00001391 0.00000100 0.0 0.00001651 -0.00000090
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5*0.0 0.00000832 -0.00000066 0.0 -0.00000467 -0.00000611 5*0.0 -0.00001260 0.00000089 0.0 0.00001529 -0.00000150
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5*0.0 0.00000767 -0.00000060 0.0 -0.00000441 -0.00000498 5*0.0 -0.00001140 0.00000080 0.0 0.00001414 -0.00000196
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5*0.0 0.00000706 -0.00000054 0.0 -0.00000417 -0.00000402 5*0.0 -0.00001031 0.00000071 0.0 0.00001306 -0.00000229
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5*0.0 0.00000649 -0.00000048 0.0 -0.00000393 -0.00000321 5*0.0 -0.00000931 0.00000064 0.0 0.00001205 -0.00000252
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5*0.0 0.00000595 -0.00000044 0.0 -0.00000370 -0.00000254 5*0.0 -0.00000840 0.00000057 0.0 0.00001111 -0.00000266
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5*0.0 0.00000545 -0.00000039 0.0 -0.00000349 -0.00000197 5*0.0 -0.00000757 0.00000051 0.0 0.00001023 -0.00000274
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5*0.0 0.00000498 -0.00000035 0.0 -0.00000328 -0.00000149 5*0.0 -0.00000682 0.00000045 0.0 0.00000941 -0.00000276
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5*0.0 0.00000454 -0.00000032 0.0 -0.00000308 -0.00000110 5*0.0 -0.00000614 0.00000040 0.0 0.00000865 -0.00000274
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5*0.0 0.00000414 -0.00000028 0.0 -0.00000288 -0.00000077 5*0.0 -0.00000552 0.00000036 0.0 0.00000794 -0.00000268
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5*0.0 0.00000377 -0.00000025 0.0 -0.00000270 -0.00000051 5*0.0 -0.00000496 0.00000032 0.0 0.00000728 -0.00000260
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5*0.0 0.00000342 -0.00000023 0.0 -0.00000253 -0.00000029 5*0.0 -0.00000446 0.00000028 0.0 0.00000667 -0.00000251
|
||||
5*0.0 0.00000311 -0.00000020 0.0 -0.00000236 -0.00000012 5*0.0 -0.00000400 0.00000025 0.0 0.00000610 -0.00000239
|
||||
5*0.0 0.00000281 -0.00000018 0.0 -0.00000220 0.00000002 5*0.0 -0.00000359 0.00000023 0.0 0.00000558 -0.00000227
|
||||
5*0.0 0.00000255 -0.00000016 0.0 -0.00000205 0.00000013 5*0.0 -0.00000322 0.00000020 0.0 0.00000510 -0.00000215
|
||||
5*0.0 0.00000230 -0.00000014 0.0 -0.00000190 0.00000021 5*0.0 -0.00000289 0.00000018 0.0 0.00000466 -0.00000202
|
||||
5*0.0 0.00000208 -0.00000013 0.0 -0.00000177 0.00000027 5*0.0 -0.00000259 0.00000016 0.0 0.00000425 -0.00000189
|
||||
5*0.0 0.00000188 -0.00000011 0.0 -0.00000164 0.00000032 5*0.0 -0.00000232 0.00000014 0.0 0.00000387 -0.00000176
|
||||
5*0.0 0.00000169 -0.00000010 0.0 -0.00000152 0.00000035 5*0.0 -0.00000208 0.00000013 0.0 0.00000352 -0.00000164
|
||||
5*0.0 0.00000152 -0.00000009 0.0 -0.00000141 0.00000037 5*0.0 -0.00000186 0.00000011 0.0 0.00000320 -0.00000152
|
||||
5*0.0 0.00000137 -0.00000008 0.0 -0.00000130 0.00000038 5*0.0 -0.00000167 0.00000010 0.0 0.00000291 -0.00000140
|
||||
5*0.0 0.00000123 -0.00000007 0.0 -0.00000120 0.00000038 5*0.0 -0.00000149 0.00000009 0.0 0.00000264 -0.00000129
|
||||
5*0.0 0.00000111 -0.00000006 0.0 -0.00000111 0.00000038 5*0.0 -0.00000134 0.00000008 0.0 0.00000240 -0.00000119
|
||||
5*0.0 0.00000099 -0.00000006 0.0 -0.00000102 0.00000037 5*0.0 -0.00000120 0.00000007 0.0 0.00000218 -0.00000109
|
||||
5*0.0 0.00000089 -0.00000005 0.0 -0.00000094 0.00000036 5*0.0 -0.00000107 0.00000006 0.0 0.00000197 -0.00000100
|
||||
5*0.0 0.00000080 -0.00000004 0.0 -0.00000086 0.00000035 5*0.0 -0.00000096 0.00000006 0.0 0.00000178 -0.00000091
|
||||
5*0.0 0.00000071 -0.00000004 0.0 -0.00000079 0.00000033 5*0.0 -0.00000086 0.00000005 0.0 0.00000161 -0.00000083
|
||||
5*0.0 0.00000064 -0.00000003 0.0 -0.00000073 0.00000031 5*0.0 -0.00000077 0.00000005 0.0 0.00000146 -0.00000076
|
||||
5*0.0 0.00000057 -0.00000003 0.0 -0.00000067 0.00000030 5*0.0 -0.00000069 0.00000004 0.0 0.00000132 -0.00000069
|
||||
5*0.0 0.00000051 -0.00000003 0.0 -0.00000061 0.00000028 5*0.0 -0.00000062 0.00000004 0.0 0.00000119 -0.00000063
|
||||
5*0.0 0.00000046 -0.00000002 0.0 -0.00000056 0.00000026 5*0.0 -0.00000055 0.00000003 0.0 0.00000107 -0.00000057
|
||||
5*0.0 0.00000041 -0.00000002 0.0 -0.00000051 0.00000024 5*0.0 -0.00000050 0.00000003 0.0 0.00000097 -0.00000051
|
||||
5*0.0 0.00000036 -0.00000002 0.0 -0.00000046 0.00000023 5*0.0 -0.00000044 0.00000003 0.0 0.00000087 -0.00000047
|
||||
5*0.0 0.00000032 -0.00000002 0.0 -0.00000042 0.00000021 5*0.0 -0.00000040 0.00000002 0.0 0.00000078 -0.00000042
|
||||
5*0.0 0.00000029 -0.00000002 0.0 -0.00000039 0.00000019 5*0.0 -0.00000036 0.00000002 0.0 0.00000071 -0.00000038
|
||||
5*0.0 0.00000026 -0.00000001 0.0 -0.00000035 0.00000018 5*0.0 -0.00000032 0.00000002 0.0 0.00000063 -0.00000034
|
||||
5*0.0 0.00000023 -0.00000001 0.0 -0.00000032 0.00000016 5*0.0 -0.00000029 0.00000002 0.0 0.00000057 -0.00000031
|
||||
5*0.0 0.00000020 -0.00000001 0.0 -0.00000029 0.00000015 5*0.0 -0.00000026 0.00000002 0.0 0.00000051 -0.00000028
|
||||
5*0.0 0.00000018 -0.00000001 0.0 -0.00000026 0.00000014 5*0.0 -0.00000023 0.00000001 0.0 0.00000046 -0.00000025
|
||||
5*0.0 0.00000016 -0.00000001 0.0 -0.00000024 0.00000013 5*0.0 -0.00000021 0.00000001 0.0 0.00000041 -0.00000022
|
||||
5*0.0 0.00000014 -0.00000001 0.0 -0.00000022 0.00000012 5*0.0 -0.00000019 0.00000001 0.0 0.00000037 -0.00000020
|
||||
5*0.0 0.00000013 -0.00000001 0.0 -0.00000020 0.00000011 5*0.0 -0.00000017 0.00000001 0.0 0.00000033 -0.00000018
|
||||
5*0.0 0.00000011 -0.00000001 0.0 -0.00000018 0.00000010 5*0.0 -0.00000015 0.00000001 0.0 0.00000030 -0.00000016
|
||||
5*0.0 0.00000010 -0.00000001 0.0 -0.00000016 0.00000009 5*0.0 -0.00000014 0.00000001 0.0 0.00000026 -0.00000014
|
||||
5*0.0 0.00000009 2*0.0 -0.00000015 0.00000008 5*0.0 -0.00000012 0.00000001 0.0 0.00000024 -0.00000013
|
||||
5*0.0 0.00000008 2*0.0 -0.00000013 0.00000007 5*0.0 -0.00000011 0.00000001 0.0 0.00000021 -0.00000012
|
||||
5*0.0 0.00000007 2*0.0 -0.00000012 0.00000006 5*0.0 -0.00000010 0.00000001 0.0 0.00000019 -0.00000010
|
||||
5*0.0 0.00000006 2*0.0 -0.00000011 0.00000006 5*0.0 -0.00000009 0.00000001 0.0 0.00000017 -0.00000009
|
||||
5*0.0 0.00000006 2*0.0 -0.00000010 0.00000005 5*0.0 -0.00000008 2*0.0 0.00000015 -0.00000008
|
||||
5*0.0 0.00000005 2*0.0 -0.00000009 0.00000005 5*0.0 -0.00000008 2*0.0 0.00000013 -0.00000007
|
||||
5*0.0 0.00000005 2*0.0 -0.00000008 0.00000004 5*0.0 -0.00000007 2*0.0 0.00000012 -0.00000006
|
||||
5*0.0 0.00000004 2*0.0 -0.00000007 0.00000004 5*0.0 -0.00000006 2*0.0 0.00000011 -0.00000006
|
||||
5*0.0 0.00000004 2*0.0 -0.00000006 0.00000003 5*0.0 -0.00000006 2*0.0 0.00000009 -0.00000005
|
||||
5*0.0 0.00000003 2*0.0 -0.00000006 0.00000003 5*0.0 -0.00000005 2*0.0 0.00000008 -0.00000005
|
||||
5*0.0 0.00000003 2*0.0 -0.00000005 0.00000003 5*0.0 -0.00000005 2*0.0 0.00000007 -0.00000004
|
||||
5*0.0 0.00000003 2*0.0 -0.00000005 0.00000003 5*0.0 -0.00000004 2*0.0 0.00000007 -0.00000004
|
||||
5*0.0 0.00000002 2*0.0 -0.00000004 0.00000002 5*0.0 -0.00000004 2*0.0 0.00000006 -0.00000003
|
||||
5*0.0 0.00000002 2*0.0 -0.00000004 0.00000002 5*0.0 -0.00000003 2*0.0 0.00000005 -0.00000003
|
||||
5*0.0 0.00000002 2*0.0 -0.00000003 0.00000002 5*0.0 -0.00000003 2*0.0 0.00000005 -0.00000002
|
||||
5*0.0 0.00000002 2*0.0 -0.00000003 0.00000002 5*0.0 -0.00000003 2*0.0 0.00000004 -0.00000002
|
||||
5*0.0 0.00000001 2*0.0 -0.00000003 0.00000001 5*0.0 -0.00000003 2*0.0 0.00000004 -0.00000002
|
||||
5*0.0 0.00000001 2*0.0 -0.00000002 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000003 -0.00000002
|
||||
5*0.0 0.00000001 2*0.0 -0.00000002 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000003 -0.00000002
|
||||
5*0.0 0.00000001 2*0.0 -0.00000002 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000003 -0.00000001
|
||||
5*0.0 0.00000001 2*0.0 -0.00000002 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000002 -0.00000001
|
||||
5*0.0 0.00000001 2*0.0 -0.00000001 0.00000001 5*0.0 -0.00000002 2*0.0 0.00000002 -0.00000001
|
||||
5*0.0 0.00000001 2*0.0 -0.00000001 0.00000001 5*0.0 -0.00000001 2*0.0 0.00000002 -0.00000001
|
||||
142
tests/DFTB/nonscc/momo
Normal file
142
tests/DFTB/nonscc/momo
Normal file
|
|
@ -0,0 +1,142 @@
|
|||
0.1, 140,
|
||||
-0.1385, -0.0395, -0.1541, 0.0 3*0.0 5.0 0.0 1.0 T F
|
||||
95.94, 0.1085139244 -0.0803959360 0.0472863079 5*0.0, 5.5, 5.5, 5.0, 0.0, 1.0, 6*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
-1.40143 -0.42607 -1.94706 0.31285 0.62816 -0.11399 -0.54250 -0.17869 -0.19156 -0.58842 0.82026 0.82919 0.93193 -0.06323 -0.07121 0.89892 0.96118 -0.01686 0.13694 0.94662
|
||||
-1.45803 -0.49331 -1.64721 0.03893 0.55735 0.06746 -0.43654 0.07148 -0.26142 -0.54908 0.75721 0.76945 0.90547 -0.06010 -0.07843 0.85757 0.94463 -0.03212 0.16556 0.92592
|
||||
-1.30813 -0.60257 -1.46426 -0.05183 0.46412 0.10774 -0.34737 0.14508 -0.25001 -0.48260 0.68548 0.70505 0.87751 -0.05455 -0.08195 0.81487 0.92657 -0.04742 0.19049 0.90306
|
||||
-1.07274 -0.63273 -1.34432 0.05291 0.39823 0.05380 -0.28534 0.11327 -0.18838 -0.40050 0.60561 0.63471 0.84792 -0.04716 -0.08288 0.77126 0.90751 -0.06249 0.21206 0.87863
|
||||
-0.76424 -0.57405 -1.25258 0.16272 0.37191 -0.01043 -0.24702 0.05935 -0.12697 -0.33128 0.52068 0.55855 0.81657 -0.03652 -0.08165 0.72600 0.88768 -0.07831 0.23130 0.85358
|
||||
-0.47624 -0.44662 -1.17060 0.24102 0.37025 -0.04771 -0.22317 0.03119 -0.09267 -0.28802 0.43479 0.47789 0.78345 -0.02091 -0.07820 0.67836 0.86709 -0.09586 0.24907 0.82865
|
||||
-0.24537 -0.28246 -1.09017 0.26315 0.37773 -0.04510 -0.20580 0.04193 -0.08786 -0.26816 0.35187 0.39473 0.74875 0.00067 -0.07222 0.62837 0.84573 -0.11541 0.26569 0.80416
|
||||
-0.08264 -0.10913 -1.00885 0.23199 0.38298 -0.01234 -0.18988 0.08492 -0.10255 -0.26233 0.27509 0.31129 0.71277 0.02819 -0.06345 0.57680 0.82364 -0.13649 0.28100 0.78006
|
||||
0.01641 0.05422 -0.92695 0.16276 0.37991 0.03473 -0.17317 0.14633 -0.12444 -0.26118 0.20664 0.22965 0.67589 0.06067 -0.05180 0.52487 0.80090 -0.15812 0.29458 0.75617
|
||||
0.06335 0.19648 -0.84584 0.07301 0.36653 0.08215 -0.15532 0.21264 -0.14406 -0.25838 0.14773 0.15157 0.63853 0.09656 -0.03737 0.47390 0.77770 -0.17907 0.30604 0.73234
|
||||
0.07164 0.31265 -0.76708 -0.02218 0.34348 0.12067 -0.13691 0.27364 -0.15602 -0.25089 0.09879 0.07843 0.60110 0.13404 -0.02044 0.42505 0.75424 -0.19815 0.31510 0.70848
|
||||
0.05391 0.40192 -0.69198 -0.11191 0.31275 0.14572 -0.11882 0.32303 -0.15845 -0.23817 0.05958 0.01122 0.56398 0.17125 -0.00144 0.37914 0.73074 -0.21432 0.32171 0.68463
|
||||
0.02077 0.46602 -0.62148 -0.18935 0.27677 0.15633 -0.10188 0.35782 -0.15189 -0.22116 0.02947 -0.04948 0.52750 0.20653 0.01912 0.33668 0.70742 -0.22679 0.32599 0.66093
|
||||
-0.01960 0.50798 -0.55618 -0.25104 0.23791 0.15384 -0.08671 0.37751 -0.13820 -0.20147 0.00754 -0.10338 0.49194 0.23846 0.04070 0.29785 0.68445 -0.23503 0.32821 0.63757
|
||||
-0.06129 0.53143 -0.49633 -0.29603 0.19824 0.14080 -0.07366 0.38319 -0.11972 -0.18082 -0.00722 -0.15044 0.45753 0.26591 0.06274 0.26257 0.66198 -0.23878 0.32875 0.61477
|
||||
-0.10038 0.53998 -0.44195 -0.32502 0.15938 0.12022 -0.06289 0.37689 -0.09880 -0.16069 -0.01585 -0.19082 0.42444 0.28810 0.08473 0.23057 0.64010 -0.23801 0.32802 0.59276
|
||||
-0.13457 0.53699 -0.39289 -0.33973 0.12253 0.09502 -0.05435 0.36102 -0.07743 -0.14222 -0.01935 -0.22483 0.39280 0.30452 0.10620 0.20145 0.61889 -0.23290 0.32647 0.57174
|
||||
-0.16278 0.52539 -0.34886 -0.34241 0.08849 0.06774 -0.04789 0.33805 -0.05719 -0.12615 -0.01865 -0.25285 0.36270 0.31493 0.12673 0.17473 0.59836 -0.22376 0.32451 0.55188
|
||||
-0.18478 0.50763 -0.30950 -0.33543 0.05773 0.04044 -0.04325 0.31023 -0.03915 -0.11285 -0.01456 -0.27532 0.33419 0.31935 0.14598 0.14987 0.57854 -0.21104 0.32252 0.53331
|
||||
-0.20088 0.48571 -0.27444 -0.32107 0.03046 0.01462 -0.04018 0.27952 -0.02398 -0.10242 -0.00781 -0.29271 0.30730 0.31797 0.16366 0.12636 0.55938 -0.19526 0.32083 0.51608
|
||||
-0.21173 0.46117 -0.24327 -0.30137 0.00671 -0.00866 -0.03839 0.24751 -0.01196 -0.09475 0.00096 -0.30550 0.28201 0.31114 0.17958 0.10369 0.54087 -0.17696 0.31970 0.50024
|
||||
-0.21809 0.43523 -0.21561 -0.27809 -0.01365 -0.02881 -0.03762 0.21544 -0.00314 -0.08956 0.01120 -0.31417 0.25833 0.29935 0.19357 0.08143 0.52293 -0.15672 0.31931 0.48575
|
||||
-0.22079 0.40876 -0.19109 -0.25266 -0.03081 -0.04553 -0.03761 0.18421 0.00267 -0.08651 0.02244 -0.31916 0.23620 0.28316 0.20555 0.05918 0.50553 -0.13509 0.31977 0.47255
|
||||
-0.22058 0.38241 -0.16936 -0.22621 -0.04504 -0.05877 -0.03816 0.15445 0.00573 -0.08523 0.03426 -0.32092 0.21559 0.26319 0.21548 0.03667 0.48858 -0.11261 0.32113 0.46052
|
||||
-0.21812 0.35663 -0.15012 -0.19960 -0.05660 -0.06868 -0.03909 0.12660 0.00642 -0.08533 0.04632 -0.31985 0.19644 0.24010 0.22336 0.01369 0.47203 -0.08977 0.32337 0.44955
|
||||
-0.21397 0.33172 -0.13307 -0.17349 -0.06578 -0.07550 -0.04023 0.10088 0.00512 -0.08647 0.05831 -0.31633 0.17869 0.21456 0.22925 -0.00990 0.45582 -0.06699 0.32642 0.43949
|
||||
-0.20861 0.30789 -0.11798 -0.14834 -0.07288 -0.07954 -0.04148 0.07743 0.00219 -0.08832 0.06997 -0.31073 0.16228 0.18721 0.23321 -0.03412 0.43990 -0.04468 0.33015 0.43016
|
||||
-0.20237 0.28524 -0.10461 -0.12447 -0.07814 -0.08113 -0.04274 0.05625 -0.00199 -0.09063 0.08110 -0.30337 0.14714 0.15867 0.23536 -0.05894 0.42421 -0.02315 0.33442 0.42140
|
||||
-0.19554 0.26383 -0.09277 -0.10211 -0.08182 -0.08063 -0.04394 0.03731 -0.00710 -0.09315 0.09151 -0.29454 0.13319 0.12952 0.23580 -0.08423 0.40871 -0.00269 0.33904 0.41306
|
||||
-0.18833 0.24368 -0.08227 -0.08136 -0.08415 -0.07837 -0.04502 0.02053 -0.01285 -0.09571 0.10108 -0.28454 0.12038 0.10030 0.23469 -0.10985 0.39339 0.01651 0.34382 0.40498
|
||||
-0.18088 0.22478 -0.07296 -0.06231 -0.08533 -0.07466 -0.04595 0.00579 -0.01901 -0.09816 0.10969 -0.27359 0.10863 0.07147 0.23216 -0.13557 0.37821 0.03426 0.34856 0.39702
|
||||
-0.17332 0.20711 -0.06471 -0.04495 -0.08554 -0.06979 -0.04670 -0.00703 -0.02535 -0.10040 0.11728 -0.26193 0.09787 0.04344 0.22836 -0.16115 0.36316 0.05046 0.35306 0.38906
|
||||
-0.16572 0.19062 -0.05739 -0.02928 -0.08494 -0.06399 -0.04727 -0.01809 -0.03171 -0.10234 0.12379 -0.24977 0.08805 0.01657 0.22346 -0.18633 0.34825 0.06504 0.35715 0.38099
|
||||
-0.15814 0.17526 -0.05090 -0.01524 -0.08368 -0.05750 -0.04763 -0.02752 -0.03795 -0.10392 0.12920 -0.23727 0.07908 -0.00886 0.21759 -0.21085 0.33347 0.07794 0.36065 0.37272
|
||||
-0.15064 0.16098 -0.04514 -0.00277 -0.08188 -0.05050 -0.04780 -0.03545 -0.04396 -0.10512 0.13352 -0.22459 0.07093 -0.03261 0.21092 -0.23444 0.31883 0.08918 0.36341 0.36420
|
||||
-0.14325 0.14773 -0.04003 0.00822 -0.07966 -0.04315 -0.04778 -0.04204 -0.04965 -0.10591 0.13676 -0.21187 0.06351 -0.05452 0.20357 -0.25684 0.30435 0.09878 0.36532 0.35537
|
||||
-0.13600 0.13545 -0.03549 0.01782 -0.07710 -0.03561 -0.04757 -0.04741 -0.05496 -0.10628 0.13896 -0.19923 0.05679 -0.07444 0.19568 -0.27783 0.29006 0.10679 0.36627 0.34620
|
||||
-0.12892 0.12409 -0.03146 0.02612 -0.07428 -0.02798 -0.04718 -0.05168 -0.05983 -0.10624 0.14017 -0.18678 0.05069 -0.09233 0.18737 -0.29720 0.27597 0.11327 0.36619 0.33670
|
||||
-0.12202 0.11359 -0.02788 0.03322 -0.07129 -0.02037 -0.04663 -0.05498 -0.06423 -0.10579 0.14044 -0.17458 0.04519 -0.10812 0.17877 -0.31477 0.26211 0.11830 0.36504 0.32686
|
||||
-0.11532 0.10389 -0.02471 0.03923 -0.06817 -0.01286 -0.04593 -0.05742 -0.06814 -0.10496 0.13985 -0.16272 0.04021 -0.12184 0.16998 -0.33040 0.24851 0.12199 0.36279 0.31670
|
||||
-0.10884 0.09494 -0.02189 0.04424 -0.06497 -0.00553 -0.04510 -0.05909 -0.07154 -0.10375 0.13846 -0.15126 0.03573 -0.13351 0.16108 -0.34398 0.23519 0.12442 0.35944 0.30625
|
||||
-0.10258 0.08670 -0.01938 0.04834 -0.06174 0.00156 -0.04414 -0.06010 -0.07443 -0.10221 0.13635 -0.14023 0.03170 -0.14320 0.15217 -0.35546 0.22219 0.12572 0.35502 0.29555
|
||||
-0.09656 0.07912 -0.01716 0.05163 -0.05852 0.00835 -0.04307 -0.06053 -0.07682 -0.10035 0.13361 -0.12967 0.02808 -0.15099 0.14332 -0.36478 0.20953 0.12598 0.34956 0.28463
|
||||
-0.09078 0.07215 -0.01519 0.05418 -0.05532 0.01481 -0.04191 -0.06045 -0.07871 -0.09821 0.13031 -0.11961 0.02483 -0.15698 0.13459 -0.37194 0.19723 0.12531 0.34312 0.27355
|
||||
-0.08525 0.06574 -0.01344 0.05608 -0.05218 0.02089 -0.04066 -0.05995 -0.08012 -0.09582 0.12653 -0.11006 0.02192 -0.16129 0.12604 -0.37698 0.18531 0.12383 0.33576 0.26236
|
||||
-0.07996 0.05986 -0.01188 0.05740 -0.04910 0.02657 -0.03935 -0.05908 -0.08107 -0.09321 0.12234 -0.10104 0.01932 -0.16403 0.11771 -0.37994 0.17380 0.12163 0.32757 0.25111
|
||||
-0.07492 0.05446 -0.01050 0.05821 -0.04612 0.03182 -0.03798 -0.05790 -0.08157 -0.09040 0.11782 -0.09254 0.01700 -0.16535 0.10965 -0.38091 0.16272 0.11882 0.31864 0.23985
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|
||||
0.00003 -0.00001 0.0 -0.00003 0.00001 0.00008 0.0 0.00001 -0.00006 -0.00005 -0.00006 0.00001 0.0 0.00013 -0.00002 0.00003 -0.00001 -0.00006 0.00005 0.00008
|
||||
0.00003 -0.00001 0.0 -0.00003 0.00001 0.00006 0.0 0.00001 -0.00005 -0.00005 -0.00006 0.00001 0.0 0.00012 -0.00002 0.00004 -0.00001 -0.00005 0.00004 0.00007
|
||||
0.00003 -0.00001 0.0 -0.00003 0.00001 0.00005 0.0 0.00001 -0.00005 -0.00004 -0.00005 0.00001 0.0 0.00011 -0.00002 0.00004 -0.00001 -0.00005 0.00004 0.00007
|
||||
0.00002 -0.00001 0.0 -0.00003 0.00001 0.00004 0.0 0.00001 -0.00004 -0.00004 -0.00005 0.00001 0.0 0.00010 -0.00001 0.00005 -0.00001 -0.00005 0.00003 0.00006
|
||||
0.00002 -0.00001 0.0 -0.00003 0.00001 0.00003 0.0 0.00001 -0.00004 -0.00003 -0.00004 0.00001 0.0 0.00009 -0.00001 0.00005 -0.00001 -0.00004 0.00003 0.00005
|
||||
141
tests/DFTB/nonscc/mos
Normal file
141
tests/DFTB/nonscc/mos
Normal file
|
|
@ -0,0 +1,141 @@
|
|||
0.1, 140,
|
||||
0.0, -0.0875289499 0.4205671108 -0.3193160460 0.0899881026 4*0.0, 5.0, 5.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -0.37550 0.30351 0.0 0.52089 -0.10283 5*0.0 0.46976 0.44027 0.0 -0.10860 0.48111
|
||||
5*0.0 -0.50061 0.15139 0.0 0.57467 -0.14786 5*0.0 0.47969 0.44728 0.0 -0.12505 0.48854
|
||||
5*0.0 -0.45118 0.04520 0.0 0.50485 -0.22108 5*0.0 0.48286 0.45303 0.0 -0.13441 0.49543
|
||||
5*0.0 -0.33324 -0.01757 0.0 0.39489 -0.30128 5*0.0 0.48076 0.45719 0.0 -0.13835 0.50116
|
||||
5*0.0 -0.21972 -0.04965 0.0 0.29734 -0.36316 5*0.0 0.47553 0.45984 0.0 -0.13874 0.50493
|
||||
5*0.0 -0.14383 -0.06392 0.0 0.23246 -0.39603 5*0.0 0.46885 0.46122 0.0 -0.13690 0.50624
|
||||
5*0.0 -0.11141 -0.06995 0.0 0.20041 -0.40178 5*0.0 0.46160 0.46162 0.0 -0.13348 0.50504
|
||||
5*0.0 -0.11454 -0.07364 0.0 0.19261 -0.38832 5*0.0 0.45385 0.46127 0.0 -0.12861 0.50165
|
||||
5*0.0 -0.14088 -0.07803 0.0 0.19869 -0.36458 5*0.0 0.44517 0.46030 0.0 -0.12209 0.49659
|
||||
5*0.0 -0.17852 -0.08427 0.0 0.20980 -0.33794 5*0.0 0.43486 0.45875 0.0 -0.11365 0.49046
|
||||
5*0.0 -0.21800 -0.09243 0.0 0.21958 -0.31344 5*0.0 0.42219 0.45661 0.0 -0.10301 0.48378
|
||||
5*0.0 -0.25279 -0.10200 0.0 0.22421 -0.29392 5*0.0 0.40653 0.45381 0.0 -0.09003 0.47699
|
||||
5*0.0 -0.27899 -0.11229 0.0 0.22187 -0.28047 5*0.0 0.38745 0.45028 0.0 -0.07467 0.47037
|
||||
5*0.0 -0.29479 -0.12261 0.0 0.21226 -0.27300 5*0.0 0.36467 0.44593 0.0 -0.05703 0.46411
|
||||
5*0.0 -0.29994 -0.13237 0.0 0.19603 -0.27070 5*0.0 0.33815 0.44070 0.0 -0.03734 0.45824
|
||||
5*0.0 -0.29519 -0.14111 0.0 0.17437 -0.27240 5*0.0 0.30801 0.43452 0.0 -0.01589 0.45274
|
||||
5*0.0 -0.28190 -0.14851 0.0 0.14871 -0.27685 5*0.0 0.27453 0.42737 0.0 0.00692 0.44751
|
||||
5*0.0 -0.26170 -0.15440 0.0 0.12046 -0.28287 5*0.0 0.23811 0.41924 0.0 0.03068 0.44241
|
||||
5*0.0 -0.23626 -0.15872 0.0 0.09096 -0.28944 5*0.0 0.19926 0.41013 0.0 0.05492 0.43726
|
||||
5*0.0 -0.20719 -0.16147 0.0 0.06131 -0.29573 5*0.0 0.15856 0.40008 0.0 0.07920 0.43189
|
||||
5*0.0 -0.17591 -0.16273 0.0 0.03243 -0.30114 5*0.0 0.11661 0.38915 0.0 0.10308 0.42616
|
||||
5*0.0 -0.14362 -0.16261 0.0 0.00500 -0.30525 5*0.0 0.07406 0.37740 0.0 0.12616 0.41991
|
||||
5*0.0 -0.11132 -0.16126 0.0 -0.02049 -0.30779 5*0.0 0.03153 0.36491 0.0 0.14807 0.41302
|
||||
5*0.0 -0.07979 -0.15882 0.0 -0.04370 -0.30863 5*0.0 -0.01036 0.35178 0.0 0.16850 0.40542
|
||||
5*0.0 -0.04963 -0.15546 0.0 -0.06446 -0.30774 5*0.0 -0.05107 0.33812 0.0 0.18719 0.39704
|
||||
5*0.0 -0.02128 -0.15131 0.0 -0.08269 -0.30517 5*0.0 -0.09007 0.32402 0.0 0.20394 0.38785
|
||||
5*0.0 0.00498 -0.14653 0.0 -0.09840 -0.30102 5*0.0 -0.12692 0.30960 0.0 0.21860 0.37787
|
||||
5*0.0 0.02894 -0.14125 0.0 -0.11166 -0.29543 5*0.0 -0.16125 0.29496 0.0 0.23108 0.36713
|
||||
5*0.0 0.05053 -0.13559 0.0 -0.12259 -0.28855 5*0.0 -0.19275 0.28020 0.0 0.24135 0.35566
|
||||
5*0.0 0.06971 -0.12966 0.0 -0.13134 -0.28055 5*0.0 -0.22120 0.26543 0.0 0.24941 0.34355
|
||||
5*0.0 0.08651 -0.12354 0.0 -0.13808 -0.27160 5*0.0 -0.24643 0.25074 0.0 0.25531 0.33088
|
||||
5*0.0 0.10101 -0.11732 0.0 -0.14297 -0.26189 5*0.0 -0.26835 0.23621 0.0 0.25913 0.31773
|
||||
5*0.0 0.11330 -0.11108 0.0 -0.14620 -0.25155 5*0.0 -0.28694 0.22193 0.0 0.26097 0.30422
|
||||
5*0.0 0.12352 -0.10488 0.0 -0.14795 -0.24076 5*0.0 -0.30224 0.20796 0.0 0.26097 0.29043
|
||||
5*0.0 0.13179 -0.09875 0.0 -0.14838 -0.22965 5*0.0 -0.31430 0.19437 0.0 0.25928 0.27647
|
||||
5*0.0 0.13826 -0.09276 0.0 -0.14766 -0.21835 5*0.0 -0.32327 0.18121 0.0 0.25605 0.26245
|
||||
5*0.0 0.14309 -0.08692 0.0 -0.14594 -0.20697 5*0.0 -0.32930 0.16851 0.0 0.25145 0.24844
|
||||
5*0.0 0.14642 -0.08126 0.0 -0.14338 -0.19563 5*0.0 -0.33256 0.15633 0.0 0.24565 0.23455
|
||||
5*0.0 0.14840 -0.07582 0.0 -0.14009 -0.18439 5*0.0 -0.33328 0.14467 0.0 0.23881 0.22085
|
||||
5*0.0 0.14917 -0.07059 0.0 -0.13620 -0.17336 5*0.0 -0.33166 0.13357 0.0 0.23110 0.20741
|
||||
5*0.0 0.14887 -0.06560 0.0 -0.13184 -0.16257 5*0.0 -0.32794 0.12304 0.0 0.22267 0.19430
|
||||
5*0.0 0.14762 -0.06084 0.0 -0.12708 -0.15210 5*0.0 -0.32235 0.11307 0.0 0.21368 0.18157
|
||||
5*0.0 0.14556 -0.05633 0.0 -0.12204 -0.14199 5*0.0 -0.31513 0.10368 0.0 0.20425 0.16927
|
||||
5*0.0 0.14280 -0.05207 0.0 -0.11678 -0.13226 5*0.0 -0.30650 0.09486 0.0 0.19452 0.15743
|
||||
5*0.0 0.13943 -0.04804 0.0 -0.11139 -0.12294 5*0.0 -0.29668 0.08660 0.0 0.18460 0.14609
|
||||
5*0.0 0.13557 -0.04425 0.0 -0.10591 -0.11406 5*0.0 -0.28590 0.07889 0.0 0.17460 0.13526
|
||||
5*0.0 0.13129 -0.04070 0.0 -0.10042 -0.10562 5*0.0 -0.27434 0.07171 0.0 0.16461 0.12496
|
||||
5*0.0 0.12668 -0.03737 0.0 -0.09495 -0.09762 5*0.0 -0.26219 0.06504 0.0 0.15471 0.11520
|
||||
5*0.0 0.12182 -0.03426 0.0 -0.08955 -0.09007 5*0.0 -0.24962 0.05887 0.0 0.14498 0.10598
|
||||
5*0.0 0.11678 -0.03137 0.0 -0.08424 -0.08297 5*0.0 -0.23678 0.05317 0.0 0.13546 0.09731
|
||||
5*0.0 0.11160 -0.02867 0.0 -0.07907 -0.07630 5*0.0 -0.22382 0.04792 0.0 0.12622 0.08916
|
||||
5*0.0 0.10635 -0.02617 0.0 -0.07404 -0.07006 5*0.0 -0.21086 0.04310 0.0 0.11730 0.08154
|
||||
5*0.0 0.10107 -0.02385 0.0 -0.06919 -0.06422 5*0.0 -0.19801 0.03868 0.0 0.10872 0.07443
|
||||
5*0.0 0.09580 -0.02170 0.0 -0.06452 -0.05879 5*0.0 -0.18535 0.03463 0.0 0.10051 0.06781
|
||||
5*0.0 0.09058 -0.01972 0.0 -0.06005 -0.05374 5*0.0 -0.17298 0.03095 0.0 0.09269 0.06166
|
||||
5*0.0 0.08544 -0.01790 0.0 -0.05578 -0.04906 5*0.0 -0.16096 0.02759 0.0 0.08527 0.05597
|
||||
5*0.0 0.08041 -0.01622 0.0 -0.05171 -0.04472 5*0.0 -0.14935 0.02455 0.0 0.07826 0.05072
|
||||
5*0.0 0.07550 -0.01467 0.0 -0.04786 -0.04071 5*0.0 -0.13818 0.02179 0.0 0.07165 0.04587
|
||||
5*0.0 0.07074 -0.01326 0.0 -0.04421 -0.03701 5*0.0 -0.12750 0.01930 0.0 0.06545 0.04142
|
||||
5*0.0 0.06614 -0.01196 0.0 -0.04077 -0.03361 5*0.0 -0.11733 0.01705 0.0 0.05965 0.03733
|
||||
5*0.0 0.06171 -0.01077 0.0 -0.03754 -0.03048 5*0.0 -0.10768 0.01502 0.0 0.05424 0.03359
|
||||
5*0.0 0.05746 -0.00969 0.0 -0.03451 -0.02761 5*0.0 -0.09856 0.01321 0.0 0.04921 0.03017
|
||||
5*0.0 0.05339 -0.00871 0.0 -0.03166 -0.02498 5*0.0 -0.08998 0.01158 0.0 0.04455 0.02705
|
||||
5*0.0 0.04952 -0.00781 0.0 -0.02901 -0.02257 5*0.0 -0.08193 0.01013 0.0 0.04024 0.02421
|
||||
5*0.0 0.04584 -0.00699 0.0 -0.02654 -0.02037 5*0.0 -0.07441 0.00883 0.0 0.03626 0.02164
|
||||
5*0.0 0.04235 -0.00625 0.0 -0.02424 -0.01836 5*0.0 -0.06740 0.00767 0.0 0.03260 0.01930
|
||||
5*0.0 0.03906 -0.00558 0.0 -0.02210 -0.01653 5*0.0 -0.06089 0.00665 0.0 0.02924 0.01719
|
||||
5*0.0 0.03595 -0.00497 0.0 -0.02013 -0.01487 5*0.0 -0.05487 0.00574 0.0 0.02617 0.01528
|
||||
5*0.0 0.03303 -0.00443 0.0 -0.01830 -0.01336 5*0.0 -0.04931 0.00494 0.0 0.02336 0.01356
|
||||
5*0.0 0.03029 -0.00393 0.0 -0.01661 -0.01199 5*0.0 -0.04419 0.00423 0.0 0.02081 0.01201
|
||||
5*0.0 0.02773 -0.00349 0.0 -0.01506 -0.01075 5*0.0 -0.03949 0.00361 0.0 0.01848 0.01062
|
||||
5*0.0 0.02534 -0.00309 0.0 -0.01363 -0.00962 5*0.0 -0.03519 0.00306 0.0 0.01638 0.00937
|
||||
5*0.0 0.02311 -0.00273 0.0 -0.01231 -0.00861 5*0.0 -0.03127 0.00258 0.0 0.01447 0.00825
|
||||
5*0.0 0.02104 -0.00241 0.0 -0.01111 -0.00769 5*0.0 -0.02770 0.00217 0.0 0.01275 0.00725
|
||||
5*0.0 0.01912 -0.00212 0.0 -0.01001 -0.00686 5*0.0 -0.02445 0.00181 0.0 0.01120 0.00636
|
||||
5*0.0 0.01734 -0.00186 0.0 -0.00900 -0.00612 5*0.0 -0.02152 0.00149 0.0 0.00981 0.00557
|
||||
5*0.0 0.01570 -0.00163 0.0 -0.00809 -0.00545 5*0.0 -0.01887 0.00122 0.0 0.00856 0.00486
|
||||
5*0.0 0.01418 -0.00143 0.0 -0.00725 -0.00484 5*0.0 -0.01648 0.00099 0.0 0.00745 0.00424
|
||||
5*0.0 0.01279 -0.00125 0.0 -0.00649 -0.00430 5*0.0 -0.01434 0.00079 0.0 0.00646 0.00368
|
||||
5*0.0 0.01151 -0.00108 0.0 -0.00580 -0.00382 5*0.0 -0.01242 0.00062 0.0 0.00557 0.00319
|
||||
5*0.0 0.01034 -0.00094 0.0 -0.00518 -0.00338 5*0.0 -0.01071 0.00047 0.0 0.00478 0.00276
|
||||
5*0.0 0.00927 -0.00081 0.0 -0.00461 -0.00299 5*0.0 -0.00918 0.00035 0.0 0.00409 0.00238
|
||||
5*0.0 0.00829 -0.00070 0.0 -0.00410 -0.00265 5*0.0 -0.00783 0.00025 0.0 0.00348 0.00205
|
||||
5*0.0 0.00740 -0.00060 0.0 -0.00364 -0.00234 5*0.0 -0.00663 0.00016 0.0 0.00293 0.00175
|
||||
5*0.0 0.00659 -0.00052 0.0 -0.00323 -0.00206 5*0.0 -0.00557 0.00009 0.0 0.00246 0.00150
|
||||
5*0.0 0.00586 -0.00044 0.0 -0.00285 -0.00182 5*0.0 -0.00464 0.00003 0.0 0.00204 0.00127
|
||||
5*0.0 0.00520 -0.00038 0.0 -0.00252 -0.00160 5*0.0 -0.00383 -0.00001 0.0 0.00168 0.00108
|
||||
5*0.0 0.00459 -0.00032 0.0 -0.00222 -0.00140 5*0.0 -0.00312 -0.00005 0.0 0.00137 0.00091
|
||||
5*0.0 0.00405 -0.00027 0.0 -0.00195 -0.00123 5*0.0 -0.00250 -0.00008 0.0 0.00110 0.00076
|
||||
5*0.0 0.00356 -0.00022 0.0 -0.00171 -0.00108 5*0.0 -0.00196 -0.00010 0.0 0.00086 0.00063
|
||||
5*0.0 0.00313 -0.00019 0.0 -0.00149 -0.00094 5*0.0 -0.00150 -0.00012 0.0 0.00066 0.00052
|
||||
5*0.0 0.00273 -0.00015 0.0 -0.00130 -0.00082 5*0.0 -0.00111 -0.00013 0.0 0.00049 0.00043
|
||||
5*0.0 0.00238 -0.00013 0.0 -0.00113 -0.00072 5*0.0 -0.00077 -0.00014 0.0 0.00034 0.00035
|
||||
5*0.0 0.00207 -0.00010 0.0 -0.00098 -0.00062 5*0.0 -0.00049 -0.00015 0.0 0.00022 0.00028
|
||||
5*0.0 0.00179 -0.00008 0.0 -0.00085 -0.00054 5*0.0 -0.00025 -0.00015 0.0 0.00011 0.00022
|
||||
5*0.0 0.00154 -0.00006 0.0 -0.00073 -0.00047 5*0.0 -0.00005 -0.00015 0.0 0.00003 0.00017
|
||||
5*0.0 0.00132 -0.00005 0.0 -0.00063 -0.00041 5*0.0 0.00011 -0.00015 0.0 -0.00005 0.00013
|
||||
5*0.0 0.00113 -0.00004 0.0 -0.00054 -0.00035 5*0.0 0.00024 -0.00015 0.0 -0.00010 0.00009
|
||||
5*0.0 0.00096 -0.00002 0.0 -0.00046 -0.00030 5*0.0 0.00035 -0.00014 0.0 -0.00015 0.00006
|
||||
5*0.0 0.00080 -0.00002 0.0 -0.00039 -0.00026 5*0.0 0.00043 -0.00014 0.0 -0.00019 0.00004
|
||||
5*0.0 0.00067 -0.00001 0.0 -0.00033 -0.00022 5*0.0 0.00050 -0.00013 0.0 -0.00021 0.00002
|
||||
5*0.0 0.00056 2*0.0 -0.00027 -0.00019 5*0.0 0.00055 -0.00012 0.0 -0.00023 0.0
|
||||
5*0.0 0.00046 2*0.0 -0.00023 -0.00016 5*0.0 0.00058 -0.00012 0.0 -0.00025 -0.00001
|
||||
5*0.0 0.00037 0.00001 0.0 -0.00019 -0.00014 5*0.0 0.00060 -0.00011 0.0 -0.00026 -0.00002
|
||||
5*0.0 0.00029 0.00001 0.0 -0.00015 -0.00012 5*0.0 0.00061 -0.00010 0.0 -0.00026 -0.00003
|
||||
5*0.0 0.00023 0.00001 0.0 -0.00012 -0.00010 5*0.0 0.00061 -0.00010 0.0 -0.00026 -0.00004
|
||||
5*0.0 0.00017 0.00001 0.0 -0.00010 -0.00008 5*0.0 0.00061 -0.00009 0.0 -0.00026 -0.00004
|
||||
5*0.0 0.00013 0.00001 0.0 -0.00007 -0.00007 5*0.0 0.00060 -0.00008 0.0 -0.00026 -0.00004
|
||||
5*0.0 0.00009 0.00001 0.0 -0.00005 -0.00006 5*0.0 0.00058 -0.00008 0.0 -0.00025 -0.00005
|
||||
5*0.0 0.00005 0.00002 0.0 -0.00004 -0.00005 5*0.0 0.00057 -0.00007 0.0 -0.00025 -0.00005
|
||||
5*0.0 0.00003 0.00002 0.0 -0.00003 -0.00004 5*0.0 0.00055 -0.00007 0.0 -0.00024 -0.00005
|
||||
6*0.0 0.00002 0.0 -0.00001 -0.00003 5*0.0 0.00052 -0.00006 0.0 -0.00023 -0.00005
|
||||
5*0.0 -0.00002 0.00002 0.0 -0.00001 -0.00003 5*0.0 0.00050 -0.00006 0.0 -0.00022 -0.00005
|
||||
5*0.0 -0.00003 0.00001 2*0.0 -0.00002 5*0.0 0.00047 -0.00005 0.0 -0.00021 -0.00005
|
||||
5*0.0 -0.00004 0.00001 0.0 0.00001 -0.00002 5*0.0 0.00045 -0.00005 0.0 -0.00020 -0.00004
|
||||
5*0.0 -0.00005 0.00001 0.0 0.00001 -0.00001 5*0.0 0.00042 -0.00004 0.0 -0.00019 -0.00004
|
||||
5*0.0 -0.00006 0.00001 0.0 0.00002 -0.00001 5*0.0 0.00040 -0.00004 0.0 -0.00018 -0.00004
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00002 -0.00001 5*0.0 0.00037 -0.00004 0.0 -0.00017 -0.00004
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00002 6*0.0 0.00035 -0.00003 0.0 -0.00016 -0.00004
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00002 6*0.0 0.00033 -0.00003 0.0 -0.00015 -0.00003
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00002 6*0.0 0.00030 -0.00003 0.0 -0.00014 -0.00003
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00003 6*0.0 0.00028 -0.00003 0.0 -0.00013 -0.00003
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00003 6*0.0 0.00026 -0.00002 0.0 -0.00012 -0.00003
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00003 6*0.0 0.00024 -0.00002 0.0 -0.00011 -0.00003
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00003 6*0.0 0.00022 -0.00002 0.0 -0.00010 -0.00002
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00002 6*0.0 0.00020 -0.00002 0.0 -0.00009 -0.00002
|
||||
5*0.0 -0.00006 0.00001 0.0 0.00002 6*0.0 0.00019 -0.00002 0.0 -0.00009 -0.00002
|
||||
5*0.0 -0.00006 0.00001 0.0 0.00002 6*0.0 0.00017 -0.00001 0.0 -0.00008 -0.00002
|
||||
5*0.0 -0.00006 0.00001 0.0 0.00002 6*0.0 0.00016 -0.00001 0.0 -0.00007 -0.00002
|
||||
5*0.0 -0.00006 0.00001 0.0 0.00002 6*0.0 0.00015 -0.00001 0.0 -0.00007 -0.00002
|
||||
5*0.0 -0.00005 2*0.0 0.00002 6*0.0 0.00013 -0.00001 0.0 -0.00006 -0.00001
|
||||
5*0.0 -0.00005 2*0.0 0.00002 6*0.0 0.00012 -0.00001 0.0 -0.00006 -0.00001
|
||||
5*0.0 -0.00005 2*0.0 0.00002 6*0.0 0.00011 -0.00001 0.0 -0.00005 -0.00001
|
||||
5*0.0 -0.00004 2*0.0 0.00002 6*0.0 0.00010 -0.00001 0.0 -0.00005 -0.00001
|
||||
5*0.0 -0.00004 2*0.0 0.00002 6*0.0 0.00009 -0.00001 0.0 -0.00004 -0.00001
|
||||
5*0.0 -0.00004 2*0.0 0.00001 6*0.0 0.00008 -0.00001 0.0 -0.00004 -0.00001
|
||||
201
tests/DFTB/nonscc/nacl_exp
Normal file
201
tests/DFTB/nonscc/nacl_exp
Normal file
|
|
@ -0,0 +1,201 @@
|
|||
0.1 200
|
||||
0.000 0.0045 0.0025 0.0015 0.00025 4*0.0 6.05 7.00 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 0.18471361 -0.63882418 0.0 0.32147842 0.50119918 5*0.0 0.65421225 0.71473568 0.0 -0.07569400 -0.54399310
|
||||
5*0.0 0.28196876 -0.46168084 0.0 0.21778783 0.52043733 5*0.0 0.62369328 0.69951970 0.0 -0.08427876 -0.53889898
|
||||
5*0.0 0.24913517 -0.33911518 0.0 0.17689037 0.51373686 5*0.0 0.59678687 0.68459218 0.0 -0.09142594 -0.53273361
|
||||
5*0.0 0.14661917 -0.26188387 0.0 0.17899055 0.48411420 5*0.0 0.57263691 0.67030013 0.0 -0.09723962 -0.52557694
|
||||
5*0.0 0.02046685 -0.21864248 0.0 0.20208214 0.44352751 5*0.0 0.54948053 0.65664501 0.0 -0.10129880 -0.51785980
|
||||
5*0.0 -0.09996672 -0.19891017 0.0 0.22968099 0.40271426 5*0.0 0.52535091 0.64341493 0.0 -0.10299318 -0.51011729
|
||||
5*0.0 -0.19919277 -0.19418982 0.0 0.25194060 0.36838804 5*0.0 0.49854546 0.63029642 0.0 -0.10176390 -0.50281801
|
||||
5*0.0 -0.27132743 -0.19813491 0.0 0.26428770 0.34349092 5*0.0 0.46786038 0.61695688 0.0 -0.09723815 -0.49627758
|
||||
5*0.0 -0.31625708 -0.20628773 0.0 0.26559870 0.32834133 5*0.0 0.43264656 0.60309747 0.0 -0.08927727 -0.49063702
|
||||
5*0.0 -0.33686572 -0.21568294 0.0 0.25669594 0.32176285 5*0.0 0.39275854 0.58848125 0.0 -0.07796738 -0.48588125
|
||||
5*0.0 -0.33729167 -0.22446102 0.0 0.23932447 0.32191373 5*0.0 0.34845659 0.57294372 0.0 -0.06357912 -0.48187702
|
||||
5*0.0 -0.32194017 -0.23154703 0.0 0.21553205 0.32680856 5*0.0 0.30030052 0.55639217 0.0 -0.04651642 -0.47841524
|
||||
5*0.0 -0.29497157 -0.23640424 0.0 0.18732529 0.33460730 5*0.0 0.24905399 0.53879885 0.0 -0.02726634 -0.47524935
|
||||
5*0.0 -0.26006110 -0.23885340 0.0 0.15649656 0.34375152 5*0.0 0.19560528 0.52019152 0.0 -0.00635636 -0.47212555
|
||||
5*0.0 -0.22030592 -0.23894343 0.0 0.12455041 0.35300866 5*0.0 0.14090405 0.50064303 0.0 0.01567912 -0.46880422
|
||||
5*0.0 -0.17821218 -0.23686034 0.0 0.09268684 0.36146454 5*0.0 0.08591104 0.48026142 0.0 0.03832313 -0.46507356
|
||||
5*0.0 -0.13572741 -0.23286407 0.0 0.06181626 0.36848920 5*0.0 0.03155823 0.45918054 0.0 0.06109297 -0.46075692
|
||||
5*0.0 -0.09429896 -0.22724562 0.0 0.03259143 0.37369106 5*0.0 -0.02128281 0.43755182 0.0 0.08355092 -0.45571560
|
||||
5*0.0 -0.05494663 -0.22029887 0.0 0.00544731 0.37686853 5*0.0 -0.07182531 0.41553693 0.0 0.10531057 -0.44984869
|
||||
5*0.0 -0.01834031 -0.21230303 0.0 -0.01935727 0.37796409 5*0.0 -0.11938521 0.39330144 0.0 0.12603988 -0.44309101
|
||||
5*0.0 0.01512446 -0.20351272 0.0 -0.04169982 0.37702387 5*0.0 -0.16339294 0.37100948 0.0 0.14546184 -0.43540993
|
||||
5*0.0 0.04525784 -0.19415332 0.0 -0.06155881 0.37416385 5*0.0 -0.20339956 0.34881929 0.0 0.16335357 -0.42680169
|
||||
5*0.0 0.07201739 -0.18441982 0.0 -0.07898389 0.36954315 5*0.0 -0.23907767 0.32687971 0.0 0.17954406 -0.41728758
|
||||
5*0.0 0.09546083 -0.17447793 0.0 -0.09407196 0.36334379 5*0.0 -0.27021797 0.30532744 0.0 0.19391119 -0.40691003
|
||||
5*0.0 0.11571024 -0.16446638 0.0 -0.10694899 0.35575620 5*0.0 -0.29672210 0.28428511 0.0 0.20637796 -0.39572887
|
||||
5*0.0 0.13292611 -0.15449983 0.0 -0.11775673 0.34696955 5*0.0 -0.31859268 0.26386007 0.0 0.21690834 -0.38381778
|
||||
5*0.0 0.14728962 -0.14467191 0.0 -0.12664357 0.33716562 5*0.0 -0.33592141 0.24414375 0.0 0.22550287 -0.37126096
|
||||
5*0.0 0.15899134 -0.13505817 0.0 -0.13375861 0.32651545 5*0.0 -0.34887597 0.22521155 0.0 0.23219401 -0.35815004
|
||||
5*0.0 0.16822444 -0.12571867 0.0 -0.13924808 0.31517778 5*0.0 -0.35768652 0.20712320 0.0 0.23704152 -0.34458130
|
||||
5*0.0 0.17518107 -0.11670040 0.0 -0.14325343 0.30329870 5*0.0 -0.36263223 0.18992344 0.0 0.24012794 -0.33065313
|
||||
5*0.0 0.18005054 -0.10803915 0.0 -0.14591037 0.29101191 5*0.0 -0.36402851 0.17364298 0.0 0.24155412 -0.31646387
|
||||
5*0.0 0.18301853 -0.09976131 0.0 -0.14734868 0.27843932 5*0.0 -0.36221512 0.15829962 0.0 0.24143512 -0.30210981
|
||||
5*0.0 0.18426667 -0.09188520 0.0 -0.14769216 0.26569174 5*0.0 -0.35754542 0.14389954 0.0 0.23989631 -0.28768366
|
||||
5*0.0 0.18397224 -0.08442234 0.0 -0.14705883 0.25286953 5*0.0 -0.35037709 0.13043861 0.0 0.23706986 -0.27327320
|
||||
5*0.0 0.18230775 -0.07737841 0.0 -0.14556102 0.24006318 5*0.0 -0.34106406 0.11790379 0.0 0.23309157 -0.25896027
|
||||
5*0.0 0.17944028 -0.07075415 0.0 -0.14330543 0.22735375 5*0.0 -0.32994993 0.10627438 0.0 0.22809812 -0.24481994
|
||||
5*0.0 0.17553078 -0.06454615 0.0 -0.14039314 0.21481329 5*0.0 -0.31736269 0.09552337 0.0 0.22222463 -0.23092006
|
||||
5*0.0 0.17073316 -0.05874747 0.0 -0.13691955 0.20250514 5*0.0 -0.30361065 0.08561862 0.0 0.21560271 -0.21732091
|
||||
5*0.0 0.16519350 -0.05334826 0.0 -0.13297420 0.19048431 5*0.0 -0.28897953 0.07652396 0.0 0.20835877 -0.20407507
|
||||
5*0.0 0.15904916 -0.04833630 0.0 -0.12864070 0.17879776 5*0.0 -0.27373049 0.06820023 0.0 0.20061273 -0.19122747
|
||||
5*0.0 0.15242811 -0.04369744 0.0 -0.12399660 0.16748481 5*0.0 -0.25809911 0.06060619 0.0 0.19247701 -0.17881562
|
||||
5*0.0 0.14544841 -0.03941609 0.0 -0.11911327 0.15657747 5*0.0 -0.24229500 0.05369931 0.0 0.18405586 -0.16686984
|
||||
5*0.0 0.13821776 -0.03547553 0.0 -0.11405591 0.14610093 5*0.0 -0.22650208 0.04743649 0.0 0.17544485 -0.15541368
|
||||
5*0.0 0.13083337 -0.03185829 0.0 -0.10888357 0.13607401 5*0.0 -0.21087931 0.04177464 0.0 0.16673067 -0.14446435
|
||||
5*0.0 0.12338197 -0.02854645 0.0 -0.10364922 0.12650968 5*0.0 -0.19556187 0.03667120 0.0 0.15799110 -0.13403326
|
||||
5*0.0 0.11593991 -0.02552189 0.0 -0.09839992 0.11741557 5*0.0 -0.18066247 0.03208458 0.0 0.14929505 -0.12412649
|
||||
5*0.0 0.10857354 -0.02276649 0.0 -0.09317699 0.10879456 5*0.0 -0.16627305 0.02797445 0.0 0.14070289 -0.11474536
|
||||
5*0.0 0.10133963 -0.02026238 0.0 -0.08801635 0.10064528 5*0.0 -0.15246644 0.02430204 0.0 0.13226673 -0.10588695
|
||||
5*0.0 0.09428593 -0.01799202 0.0 -0.08294873 0.09296265 5*0.0 -0.13929818 0.02103032 0.0 0.12403090 -0.09754466
|
||||
5*0.0 0.08745175 -0.01593842 0.0 -0.07800006 0.08573844 5*0.0 -0.12680833 0.01812418 0.0 0.11603239 -0.08970870
|
||||
5*0.0 0.08086868 -0.01408515 0.0 -0.07319180 0.07896175 5*0.0 -0.11502323 0.01555047 0.0 0.10830140 -0.08236656
|
||||
5*0.0 0.07456122 -0.01241649 0.0 -0.06854133 0.07261946 5*0.0 -0.10395723 0.01327809 0.0 0.10086189 -0.07550349
|
||||
5*0.0 0.06854757 -0.01091745 0.0 -0.06406227 0.06669668 5*0.0 -0.09361433 0.01127803 0.0 0.09373214 -0.06910296
|
||||
5*0.0 0.06284026 -0.00957385 0.0 -0.05976492 0.06117713 5*0.0 -0.08398971 0.00952328 0.0 0.08692530 -0.06314695
|
||||
5*0.0 0.05744684 -0.00837228 0.0 -0.05565658 0.05604353 5*0.0 -0.07507118 0.00798887 0.0 0.08044995 -0.05761641
|
||||
5*0.0 0.05237054 -0.00730017 0.0 -0.05174189 0.05127786 5*0.0 -0.06684046 0.00665178 0.0 0.07431063 -0.05249151
|
||||
5*0.0 0.04761088 -0.00634576 0.0 -0.04802318 0.04686169 5*0.0 -0.05927438 0.00549087 0.0 0.06850832 -0.04775196
|
||||
5*0.0 0.04316424 -0.00549810 0.0 -0.04450079 0.04277640 5*0.0 -0.05234594 0.00448679 0.0 0.06304096 -0.04337725
|
||||
5*0.0 0.03902435 -0.00474701 0.0 -0.04117332 0.03900340 5*0.0 -0.04602528 0.00362190 0.0 0.05790389 -0.03934684
|
||||
5*0.0 0.03518283 -0.00408311 0.0 -0.03803795 0.03552428 5*0.0 -0.04028047 0.00288018 0.0 0.05309022 -0.03564038
|
||||
5*0.0 0.03162953 -0.00349770 0.0 -0.03509062 0.03232097 5*0.0 -0.03507828 0.00224712 0.0 0.04859126 -0.03223786
|
||||
5*0.0 0.02835300 -0.00298284 0.0 -0.03232631 0.02937587 5*0.0 -0.03038476 0.00170962 0.0 0.04439685 -0.02911973
|
||||
5*0.0 0.02534076 -0.00253120 0.0 -0.02973919 0.02667193 5*0.0 -0.02616582 0.00125588 0.0 0.04049566 -0.02626702
|
||||
5*0.0 0.02257963 -0.00213611 0.0 -0.02732283 0.02419273 5*0.0 -0.02238762 0.00087532 0.0 0.03687548 -0.02366141
|
||||
5*0.0 0.02005601 -0.00179148 0.0 -0.02507030 0.02192252 5*0.0 -0.01901696 0.00055849 0.0 0.03352347 -0.02128531
|
||||
5*0.0 0.01775602 -0.00149178 0.0 -0.02297440 0.01984628 5*0.0 -0.01602159 0.00029692 0.0 0.03042635 -0.01912190
|
||||
5*0.0 0.01566577 -0.00123198 0.0 -0.02102767 0.01794974 5*0.0 -0.01337043 0.00008313 0.0 0.02757065 -0.01715518
|
||||
5*0.0 0.01377149 -0.00100755 0.0 -0.01922257 0.01621937 5*0.0 -0.01103372 -0.00008955 0.0 0.02494279 -0.01536996
|
||||
5*0.0 0.01205963 -0.00081437 0.0 -0.01755153 0.01464241 5*0.0 -0.00898321 -0.00022700 0.0 0.02252930 -0.01375190
|
||||
5*0.0 0.01051701 -0.00064877 0.0 -0.01600701 0.01320684 5*0.0 -0.00719219 -0.00033439 0.0 0.02031688 -0.01228750
|
||||
5*0.0 0.00913089 -0.00050741 0.0 -0.01458161 0.01190141 5*0.0 -0.00563558 -0.00041630 0.0 0.01829253 -0.01096408
|
||||
5*0.0 0.00788901 -0.00038734 0.0 -0.01326808 0.01071557 5*0.0 -0.00428995 -0.00047670 0.0 0.01644359 -0.00976976
|
||||
5*0.0 0.00677967 -0.00028587 0.0 -0.01205936 0.00963946 5*0.0 -0.00313348 -0.00051907 0.0 0.01475787 -0.00869348
|
||||
5*0.0 0.00579176 -0.00020065 0.0 -0.01094863 0.00866392 5*0.0 -0.00214601 -0.00054644 0.0 0.01322361 -0.00772494
|
||||
5*0.0 0.00491475 -0.00012956 0.0 -0.00992931 0.00778042 5*0.0 -0.00130892 -0.00056143 0.0 0.01182961 -0.00685454
|
||||
5*0.0 0.00413876 -0.00007072 0.0 -0.00899511 0.00698106 5*0.0 -0.00060514 -0.00056630 0.0 0.01056517 -0.00607344
|
||||
5*0.0 0.00345451 -0.00002247 0.0 -0.00814003 0.00625850 5*0.0 -0.00001905 -0.00056301 0.0 0.00942016 -0.00537344
|
||||
5*0.0 0.00285333 0.00001666 0.0 -0.00735834 0.00560599 5*0.0 0.00046356 -0.00055321 0.0 0.00838502 -0.00474698
|
||||
5*0.0 0.00232717 0.00004797 0.0 -0.00664463 0.00501727 5*0.0 0.00085562 -0.00053834 0.0 0.00745073 -0.00418710
|
||||
5*0.0 0.00186855 0.00007261 0.0 -0.00599377 0.00448660 5*0.0 0.00116877 -0.00051958 0.0 0.00660885 -0.00368742
|
||||
5*0.0 0.00147057 0.00009156 0.0 -0.00540093 0.00400868 5*0.0 0.00141352 -0.00049796 0.0 0.00585147 -0.00324209
|
||||
5*0.0 0.00112687 0.00010571 0.0 -0.00486157 0.00357865 5*0.0 0.00159931 -0.00047433 0.0 0.00517121 -0.00284575
|
||||
5*0.0 0.00083162 0.00011582 0.0 -0.00437144 0.00319206 5*0.0 0.00173456 -0.00044939 0.0 0.00456122 -0.00249351
|
||||
5*0.0 0.00057947 0.00012256 0.0 -0.00392654 0.00284482 5*0.0 0.00182677 -0.00042372 0.0 0.00401513 -0.00218090
|
||||
5*0.0 0.00036556 0.00012651 0.0 -0.00352316 0.00253320 5*0.0 0.00188261 -0.00039779 0.0 0.00352705 -0.00190387
|
||||
5*0.0 0.00018544 0.00012815 0.0 -0.00315783 0.00225379 5*0.0 0.00190796 -0.00037200 0.0 0.00309156 -0.00165874
|
||||
5*0.0 0.00003509 0.00012793 0.0 -0.00282732 0.00200347 5*0.0 0.00190800 -0.00034665 0.0 0.00270363 -0.00144214
|
||||
5*0.0 -0.00008913 0.00012620 0.0 -0.00252866 0.00177940 5*0.0 0.00188728 -0.00032197 0.0 0.00235867 -0.00125106
|
||||
5*0.0 -0.00019050 0.00012329 0.0 -0.00225906 0.00157901 5*0.0 0.00184976 -0.00029815 0.0 0.00205246 -0.00108275
|
||||
5*0.0 -0.00027198 0.00011946 0.0 -0.00201596 0.00139995 5*0.0 0.00179887 -0.00027531 0.0 0.00178112 -0.00093475
|
||||
5*0.0 -0.00033620 0.00011494 0.0 -0.00179699 0.00124008 5*0.0 0.00173760 -0.00025356 0.0 0.00154113 -0.00080480
|
||||
5*0.0 -0.00038554 0.00010992 0.0 -0.00159998 0.00109747 5*0.0 0.00166850 -0.00023296 0.0 0.00132926 -0.00069092
|
||||
5*0.0 -0.00042211 0.00010456 0.0 -0.00142292 0.00097037 5*0.0 0.00159375 -0.00021354 0.0 0.00114259 -0.00059129
|
||||
5*0.0 -0.00044779 0.00009899 0.0 -0.00126395 0.00085718 5*0.0 0.00151521 -0.00019531 0.0 0.00097845 -0.00050429
|
||||
5*0.0 -0.00046423 0.00009332 0.0 -0.00112139 0.00075647 5*0.0 0.00143443 -0.00017827 0.0 0.00083443 -0.00042847
|
||||
5*0.0 -0.00047290 0.00008764 0.0 -0.00099368 0.00066695 5*0.0 0.00135272 -0.00016239 0.0 0.00070833 -0.00036253
|
||||
5*0.0 -0.00047509 0.00008202 0.0 -0.00087940 0.00058743 5*0.0 0.00127116 -0.00014765 0.0 0.00059820 -0.00030530
|
||||
5*0.0 -0.00047193 0.00007651 0.0 -0.00077725 0.00051687 5*0.0 0.00119062 -0.00013400 0.0 0.00050223 -0.00025575
|
||||
5*0.0 -0.00046441 0.00007117 0.0 -0.00068605 0.00045431 5*0.0 0.00111181 -0.00012140 0.0 0.00041883 -0.00021295
|
||||
5*0.0 -0.00045339 0.00006602 0.0 -0.00060471 0.00039890 5*0.0 0.00103528 -0.00010980 0.0 0.00034655 -0.00017608
|
||||
5*0.0 -0.00043961 0.00006109 0.0 -0.00053226 0.00034985 5*0.0 0.00096148 -0.00009915 0.0 0.00028409 -0.00014440
|
||||
5*0.0 -0.00042371 0.00005640 0.0 -0.00046779 0.00030649 5*0.0 0.00089072 -0.00008939 0.0 0.00023030 -0.00011727
|
||||
5*0.0 -0.00040624 0.00005195 0.0 -0.00041051 0.00026819 5*0.0 0.00082323 -0.00008046 0.0 0.00018413 -0.00009412
|
||||
5*0.0 -0.00038766 0.00004775 0.0 -0.00035965 0.00023439 5*0.0 0.00075915 -0.00007232 0.0 0.00014465 -0.00007442
|
||||
5*0.0 -0.00036838 0.00004381 0.0 -0.00031457 0.00020459 5*0.0 0.00069857 -0.00006490 0.0 0.00011105 -0.00005774
|
||||
5*0.0 -0.00034872 0.00004012 0.0 -0.00027466 0.00017834 5*0.0 0.00064153 -0.00005816 0.0 0.00008257 -0.00004367
|
||||
5*0.0 -0.00032896 0.00003667 0.0 -0.00023936 0.00015525 5*0.0 0.00058799 -0.00005205 0.0 0.00005857 -0.00003187
|
||||
5*0.0 -0.00030933 0.00003347 0.0 -0.00020819 0.00013495 5*0.0 0.00053791 -0.00004651 0.0 0.00003846 -0.00002202
|
||||
5*0.0 -0.00029002 0.00003049 0.0 -0.00018070 0.00011714 5*0.0 0.00049121 -0.00004150 0.0 0.00002173 -0.00001386
|
||||
5*0.0 -0.00027116 0.00002774 0.0 -0.00015650 0.00010151 5*0.0 0.00044778 -0.00003698 0.0 0.00000793 -0.00000714
|
||||
5*0.0 -0.00025289 0.00002520 0.0 -0.00013521 0.00008782 5*0.0 0.00040749 -0.00003291 0.0 -0.00000335 -0.00000167
|
||||
5*0.0 -0.00023528 0.00002286 0.0 -0.00011652 0.00007584 5*0.0 0.00037022 -0.00002924 0.0 -0.00001246 0.00000273
|
||||
5*0.0 -0.00021841 0.00002071 0.0 -0.00010013 0.00006537 5*0.0 0.00033581 -0.00002595 0.0 -0.00001971 0.00000624
|
||||
5*0.0 -0.00020232 0.00001873 0.0 -0.00008580 0.00005624 5*0.0 0.00030412 -0.00002300 0.0 -0.00002538 0.00000898
|
||||
5*0.0 -0.00018704 0.00001692 0.0 -0.00007327 0.00004828 5*0.0 0.00027499 -0.00002035 0.0 -0.00002970 0.00001107
|
||||
5*0.0 -0.00017258 0.00001527 0.0 -0.00006234 0.00004134 5*0.0 0.00024827 -0.00001798 0.0 -0.00003288 0.00001262
|
||||
5*0.0 -0.00015896 0.00001376 0.0 -0.00005283 0.00003532 5*0.0 0.00022381 -0.00001587 0.0 -0.00003510 0.00001372
|
||||
5*0.0 -0.00014615 0.00001239 0.0 -0.00004457 0.00003009 5*0.0 0.00020146 -0.00001398 0.0 -0.00003651 0.00001444
|
||||
5*0.0 -0.00013415 0.00001114 0.0 -0.00003741 0.00002556 5*0.0 0.00018108 -0.00001230 0.0 -0.00003727 0.00001485
|
||||
5*0.0 -0.00012294 0.00001000 0.0 -0.00003122 0.00002164 5*0.0 0.00016252 -0.00001080 0.0 -0.00003748 0.00001500
|
||||
5*0.0 -0.00011250 0.00000897 0.0 -0.00002588 0.00001825 5*0.0 0.00014564 -0.00000947 0.0 -0.00003724 0.00001495
|
||||
5*0.0 -0.00010279 0.00000804 0.0 -0.00002128 0.00001534 5*0.0 0.00013033 -0.00000830 0.0 -0.00003664 0.00001473
|
||||
5*0.0 -0.00009378 0.00000720 0.0 -0.00001734 0.00001283 5*0.0 0.00011645 -0.00000725 0.0 -0.00003576 0.00001439
|
||||
5*0.0 -0.00008544 0.00000644 0.0 -0.00001397 0.00001067 5*0.0 0.00010390 -0.00000633 0.0 -0.00003466 0.00001395
|
||||
5*0.0 -0.00007774 0.00000575 0.0 -0.00001110 0.00000883 5*0.0 0.00009257 -0.00000551 0.0 -0.00003340 0.00001343
|
||||
5*0.0 -0.00007064 0.00000513 0.0 -0.00000866 0.00000725 5*0.0 0.00008234 -0.00000479 0.0 -0.00003201 0.00001286
|
||||
5*0.0 -0.00006411 0.00000457 0.0 -0.00000660 0.00000591 5*0.0 0.00007313 -0.00000416 0.0 -0.00003055 0.00001225
|
||||
5*0.0 -0.00005811 0.00000407 0.0 -0.00000486 0.00000477 5*0.0 0.00006486 -0.00000360 0.0 -0.00002903 0.00001162
|
||||
5*0.0 -0.00005260 0.00000362 0.0 -0.00000341 0.00000380 5*0.0 0.00005742 -0.00000311 0.0 -0.00002748 0.00001098
|
||||
5*0.0 -0.00004756 0.00000322 0.0 -0.00000220 0.00000299 5*0.0 0.00005076 -0.00000268 0.0 -0.00002594 0.00001034
|
||||
5*0.0 -0.00004295 0.00000286 0.0 -0.00000121 0.00000231 5*0.0 0.00004479 -0.00000230 0.0 -0.00002441 0.00000970
|
||||
5*0.0 -0.00003874 0.00000253 0.0 -0.00000039 0.00000173 5*0.0 0.00003946 -0.00000197 0.0 -0.00002290 0.00000908
|
||||
5*0.0 -0.00003491 0.00000224 0.0 0.00000027 0.00000126 5*0.0 0.00003470 -0.00000169 0.0 -0.00002144 0.00000848
|
||||
5*0.0 -0.00003142 0.00000199 0.0 0.00000080 0.00000086 5*0.0 0.00003046 -0.00000144 0.0 -0.00002002 0.00000790
|
||||
5*0.0 -0.00002824 0.00000175 0.0 0.00000122 0.00000054 5*0.0 0.00002668 -0.00000122 0.0 -0.00001866 0.00000734
|
||||
5*0.0 -0.00002536 0.00000155 0.0 0.00000154 0.00000027 5*0.0 0.00002333 -0.00000103 0.0 -0.00001736 0.00000681
|
||||
5*0.0 -0.00002275 0.00000137 0.0 0.00000178 0.00000006 5*0.0 0.00002035 -0.00000087 0.0 -0.00001612 0.00000630
|
||||
5*0.0 -0.00002038 0.00000120 0.0 0.00000195 -0.00000011 5*0.0 0.00001771 -0.00000073 0.0 -0.00001494 0.00000583
|
||||
5*0.0 -0.00001824 0.00000106 0.0 0.00000207 -0.00000024 5*0.0 0.00001538 -0.00000061 0.0 -0.00001383 0.00000537
|
||||
5*0.0 -0.00001631 0.00000093 0.0 0.00000214 -0.00000035 5*0.0 0.00001332 -0.00000050 0.0 -0.00001278 0.00000495
|
||||
5*0.0 -0.00001457 0.00000082 0.0 0.00000217 -0.00000042 5*0.0 0.00001151 -0.00000041 0.0 -0.00001179 0.00000455
|
||||
5*0.0 -0.00001299 0.00000072 0.0 0.00000218 -0.00000048 5*0.0 0.00000991 -0.00000034 0.0 -0.00001086 0.00000418
|
||||
5*0.0 -0.00001158 0.00000063 0.0 0.00000215 -0.00000052 5*0.0 0.00000851 -0.00000027 0.0 -0.00001000 0.00000384
|
||||
5*0.0 -0.00001031 0.00000055 0.0 0.00000211 -0.00000054 5*0.0 0.00000728 -0.00000022 0.0 -0.00000919 0.00000352
|
||||
5*0.0 -0.00000916 0.00000048 0.0 0.00000205 -0.00000056 5*0.0 0.00000620 -0.00000017 0.0 -0.00000844 0.00000322
|
||||
5*0.0 -0.00000814 0.00000042 0.0 0.00000198 -0.00000056 5*0.0 0.00000526 -0.00000013 0.0 -0.00000774 0.00000294
|
||||
5*0.0 -0.00000722 0.00000037 0.0 0.00000190 -0.00000055 5*0.0 0.00000444 -0.00000010 0.0 -0.00000709 0.00000269
|
||||
5*0.0 -0.00000640 0.00000032 0.0 0.00000182 -0.00000054 5*0.0 0.00000373 -0.00000007 0.0 -0.00000649 0.00000245
|
||||
5*0.0 -0.00000566 0.00000028 0.0 0.00000173 -0.00000053 5*0.0 0.00000311 -0.00000005 0.0 -0.00000594 0.00000224
|
||||
5*0.0 -0.00000500 0.00000024 0.0 0.00000164 -0.00000051 5*0.0 0.00000258 -0.00000003 0.0 -0.00000543 0.00000204
|
||||
5*0.0 -0.00000442 0.00000021 0.0 0.00000155 -0.00000049 5*0.0 0.00000212 -0.00000001 0.0 -0.00000495 0.00000185
|
||||
5*0.0 -0.00000389 0.00000018 0.0 0.00000145 -0.00000047 5*0.0 0.00000172 2*0.0 -0.00000452 0.00000169
|
||||
5*0.0 -0.00000343 0.00000015 0.0 0.00000136 -0.00000044 5*0.0 0.00000138 0.00000001 0.0 -0.00000412 0.00000153
|
||||
5*0.0 -0.00000302 0.00000013 0.0 0.00000128 -0.00000042 5*0.0 0.00000109 0.00000002 0.0 -0.00000375 0.00000139
|
||||
5*0.0 -0.00000265 0.00000011 0.0 0.00000119 -0.00000039 5*0.0 0.00000085 0.00000003 0.0 -0.00000341 0.00000126
|
||||
5*0.0 -0.00000232 0.00000010 0.0 0.00000111 -0.00000037 5*0.0 0.00000064 0.00000003 0.0 -0.00000310 0.00000114
|
||||
5*0.0 -0.00000203 0.00000008 0.0 0.00000103 -0.00000035 5*0.0 0.00000046 0.00000003 0.0 -0.00000282 0.00000104
|
||||
5*0.0 -0.00000178 0.00000007 0.0 0.00000096 -0.00000032 5*0.0 0.00000031 0.00000003 0.0 -0.00000256 0.00000094
|
||||
5*0.0 -0.00000155 0.00000006 0.0 0.00000089 -0.00000030 5*0.0 0.00000019 0.00000004 0.0 -0.00000233 0.00000085
|
||||
5*0.0 -0.00000135 0.00000005 0.0 0.00000082 -0.00000028 5*0.0 0.00000009 0.00000004 0.0 -0.00000211 0.00000077
|
||||
5*0.0 -0.00000118 0.00000004 0.0 0.00000076 -0.00000026 5*0.0 0.00000001 0.00000004 0.0 -0.00000191 0.00000069
|
||||
5*0.0 -0.00000102 0.00000004 0.0 0.00000070 -0.00000024 5*0.0 -0.00000006 0.00000004 0.0 -0.00000173 0.00000063
|
||||
5*0.0 -0.00000088 0.00000003 0.0 0.00000064 -0.00000022 5*0.0 -0.00000011 0.00000004 0.0 -0.00000157 0.00000057
|
||||
5*0.0 -0.00000076 0.00000003 0.0 0.00000059 -0.00000020 5*0.0 -0.00000016 0.00000003 0.0 -0.00000142 0.00000051
|
||||
5*0.0 -0.00000066 0.00000002 0.0 0.00000054 -0.00000019 5*0.0 -0.00000019 0.00000003 0.0 -0.00000128 0.00000046
|
||||
5*0.0 -0.00000057 0.00000002 0.0 0.00000050 -0.00000017 5*0.0 -0.00000021 0.00000003 0.0 -0.00000116 0.00000042
|
||||
5*0.0 -0.00000049 0.00000001 0.0 0.00000046 -0.00000016 5*0.0 -0.00000023 0.00000003 0.0 -0.00000105 0.00000037
|
||||
5*0.0 -0.00000042 0.00000001 0.0 0.00000042 -0.00000014 5*0.0 -0.00000024 0.00000003 0.0 -0.00000095 0.00000034
|
||||
5*0.0 -0.00000036 0.00000001 0.0 0.00000038 -0.00000013 5*0.0 -0.00000025 0.00000003 0.0 -0.00000086 0.00000030
|
||||
5*0.0 -0.00000030 0.00000001 0.0 0.00000035 -0.00000012 5*0.0 -0.00000025 0.00000003 0.0 -0.00000077 0.00000027
|
||||
5*0.0 -0.00000026 0.00000001 0.0 0.00000032 -0.00000011 5*0.0 -0.00000025 0.00000002 0.0 -0.00000070 0.00000025
|
||||
5*0.0 -0.00000022 2*0.0 0.00000029 -0.00000010 5*0.0 -0.00000025 0.00000002 0.0 -0.00000063 0.00000022
|
||||
5*0.0 -0.00000018 2*0.0 0.00000026 -0.00000009 5*0.0 -0.00000024 0.00000002 0.0 -0.00000057 0.00000020
|
||||
5*0.0 -0.00000015 2*0.0 0.00000024 -0.00000008 5*0.0 -0.00000023 0.00000002 0.0 -0.00000051 0.00000018
|
||||
5*0.0 -0.00000013 2*0.0 0.00000022 -0.00000008 5*0.0 -0.00000023 0.00000002 0.0 -0.00000046 0.00000016
|
||||
5*0.0 -0.00000010 2*0.0 0.00000020 -0.00000007 5*0.0 -0.00000022 0.00000002 0.0 -0.00000041 0.00000014
|
||||
5*0.0 -0.00000008 2*0.0 0.00000018 -0.00000006 5*0.0 -0.00000021 0.00000002 0.0 -0.00000037 0.00000013
|
||||
5*0.0 -0.00000007 2*0.0 0.00000016 -0.00000006 5*0.0 -0.00000020 0.00000001 0.0 -0.00000033 0.00000012
|
||||
5*0.0 -0.00000005 2*0.0 0.00000015 -0.00000005 5*0.0 -0.00000019 0.00000001 0.0 -0.00000030 0.00000010
|
||||
5*0.0 -0.00000004 2*0.0 0.00000014 -0.00000005 5*0.0 -0.00000018 0.00000001 0.0 -0.00000027 0.00000009
|
||||
5*0.0 -0.00000003 2*0.0 0.00000012 -0.00000004 5*0.0 -0.00000017 0.00000001 0.0 -0.00000024 0.00000008
|
||||
5*0.0 -0.00000002 2*0.0 0.00000011 -0.00000004 5*0.0 -0.00000016 0.00000001 0.0 -0.00000022 0.00000007
|
||||
5*0.0 -0.00000002 2*0.0 0.00000010 -0.00000003 5*0.0 -0.00000015 0.00000001 0.0 -0.00000020 0.00000007
|
||||
5*0.0 -0.00000001 2*0.0 0.00000009 -0.00000003 5*0.0 -0.00000014 0.00000001 0.0 -0.00000018 0.00000006
|
||||
5*0.0 -0.00000001 2*0.0 0.00000008 -0.00000003 5*0.0 -0.00000013 0.00000001 0.0 -0.00000016 0.00000005
|
||||
8*0.0 0.00000007 -0.00000003 5*0.0 -0.00000012 0.00000001 0.0 -0.00000014 0.00000005
|
||||
8*0.0 0.00000007 -0.00000002 5*0.0 -0.00000011 0.00000001 0.0 -0.00000013 0.00000004
|
||||
8*0.0 0.00000006 -0.00000002 5*0.0 -0.00000010 0.00000001 0.0 -0.00000011 0.00000004
|
||||
8*0.0 0.00000005 -0.00000002 5*0.0 -0.00000009 0.00000001 0.0 -0.00000010 0.00000003
|
||||
5*0.0 0.00000001 2*0.0 0.00000005 -0.00000002 5*0.0 -0.00000009 0.00000001 0.0 -0.00000009 0.00000003
|
||||
5*0.0 0.00000001 2*0.0 0.00000004 -0.00000001 5*0.0 -0.00000008 2*0.0 -0.00000008 0.00000003
|
||||
5*0.0 0.00000001 2*0.0 0.00000004 -0.00000001 5*0.0 -0.00000007 2*0.0 -0.00000007 0.00000002
|
||||
5*0.0 0.00000001 2*0.0 0.00000004 -0.00000001 5*0.0 -0.00000007 2*0.0 -0.00000007 0.00000002
|
||||
5*0.0 0.00000001 2*0.0 0.00000003 -0.00000001 5*0.0 -0.00000006 2*0.0 -0.00000006 0.00000002
|
||||
5*0.0 0.00000001 2*0.0 0.00000003 -0.00000001 5*0.0 -0.00000006 2*0.0 -0.00000005 0.00000002
|
||||
5*0.0 0.00000001 2*0.0 0.00000003 -0.00000001 5*0.0 -0.00000005 2*0.0 -0.00000005 0.00000002
|
||||
202
tests/DFTB/nonscc/nana_exp
Normal file
202
tests/DFTB/nonscc/nana_exp
Normal file
|
|
@ -0,0 +1,202 @@
|
|||
0.1 200
|
||||
0.0000 0.197063 -0.100720 0.0 3*0.0 0.0 0.0 1.0 T F
|
||||
22.98977 0.0012 0.00005 -0.000045 0.000000 0.0000045 0.0 0.00000000 -0.00000000 9.0 10.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 0.04491723 -0.63200278 0.0 -0.01077480 -0.37943074 5*0.0 0.85193035 0.94593812 0.0 0.06321704 0.96730036
|
||||
5*0.0 0.25570913 -0.47383457 0.0 -0.10684974 -0.35988059 5*0.0 0.79154424 0.92112650 0.0 0.07979635 0.95403002
|
||||
5*0.0 0.37133277 -0.34141065 0.0 -0.16639791 -0.34775292 5*0.0 0.73103280 0.89446926 0.0 0.09424263 0.93914333
|
||||
5*0.0 0.41222965 -0.23591989 0.0 -0.19138548 -0.33260897 5*0.0 0.67267564 0.86691854 0.0 0.10602718 0.92261434
|
||||
5*0.0 0.40158376 -0.15514324 0.0 -0.19009356 -0.31208892 5*0.0 0.61754155 0.83915634 0.0 0.11512602 0.90455769
|
||||
5*0.0 0.35947712 -0.09541106 0.0 -0.17188375 -0.28748577 5*0.0 0.56584484 0.81162935 0.0 0.12189052 0.88521720
|
||||
5*0.0 0.30092810 -0.05276179 0.0 -0.14468586 -0.26111550 5*0.0 0.51729635 0.78459923 0.0 0.12689127 0.86492032
|
||||
5*0.0 0.23613853 -0.02353476 0.0 -0.11424421 -0.23506498 5*0.0 0.47137141 0.75819382 0.0 0.13077711 0.84402650
|
||||
5*0.0 0.17160464 -0.00460231 0.0 -0.08428242 -0.21078823 5*0.0 0.42747738 0.73245098 0.0 0.13417207 0.82288424
|
||||
5*0.0 0.11127118 0.00659580 0.0 -0.05698893 -0.18911498 5*0.0 0.38504101 0.70735169 0.0 0.13761428 0.80180225
|
||||
5*0.0 0.05739550 0.01210568 0.0 -0.03350218 -0.17039934 5*0.0 0.34354647 0.68284335 0.0 0.14152902 0.78103460
|
||||
5*0.0 0.01109703 0.01353806 0.0 -0.01427971 -0.15467801 5*0.0 0.30255043 0.65885535 0.0 0.14622426 0.76077650
|
||||
5*0.0 -0.02730736 0.01214446 0.0 0.00065424 -0.14179364 5*0.0 0.26169011 0.63530950 0.0 0.15189857 0.74116712
|
||||
5*0.0 -0.05807587 0.00888269 0.0 0.01154879 -0.13147975 5*0.0 0.22069111 0.61212724 0.0 0.15865420 0.72229592
|
||||
5*0.0 -0.08185760 0.00447172 0.0 0.01881904 -0.12341658 5*0.0 0.17937553 0.58923487 0.0 0.16651124 0.70421033
|
||||
5*0.0 -0.09952875 -0.00056167 0.0 0.02296820 -0.11726793 5*0.0 0.13766825 0.56656750 0.0 0.17542122 0.68692321
|
||||
5*0.0 -0.11205083 -0.00584252 0.0 0.02452824 -0.11270566 5*0.0 0.09559903 0.54407212 0.0 0.18527962 0.67041969
|
||||
5*0.0 -0.12035923 -0.01111285 0.0 0.02401560 -0.10942586 5*0.0 0.05329875 0.52170964 0.0 0.19593739 0.65466306
|
||||
5*0.0 -0.12528780 -0.01620200 0.0 0.02190079 -0.10715848 5*0.0 0.01098972 0.49945618 0.0 0.20721170 0.63959977
|
||||
5*0.0 -0.12752868 -0.02100223 0.0 0.01859107 -0.10567168 5*0.0 -0.03102929 0.47730339 0.0 0.21889609 0.62516382
|
||||
5*0.0 -0.12762172 -0.02544946 0.0 0.01442408 -0.10477213 5*0.0 -0.07240175 0.45525802 0.0 0.23077003 0.61128059
|
||||
5*0.0 -0.12596523 -0.02950852 0.0 0.00966984 -0.10430231 5*0.0 -0.11273405 0.43334084 0.0 0.24260767 0.59787021
|
||||
5*0.0 -0.12283943 -0.03316264 0.0 0.00453805 -0.10413597 5*0.0 -0.15161656 0.41158491 0.0 0.25418587 0.58485061
|
||||
5*0.0 -0.11843544 -0.03640616 0.0 -0.00081194 -0.10417287 5*0.0 -0.18864357 0.39003358 0.0 0.26529107 0.57214016
|
||||
5*0.0 -0.11288433 -0.03923991 0.0 -0.00626055 -0.10433354 5*0.0 -0.22343106 0.36873813 0.0 0.27572513 0.55966003
|
||||
5*0.0 -0.10628299 -0.04166845 0.0 -0.01171815 -0.10455453 5*0.0 -0.25563158 0.34775543 0.0 0.28530995 0.54733612
|
||||
5*0.0 -0.09871489 -0.04369871 0.0 -0.01711661 -0.10478466 5*0.0 -0.28494597 0.32714557 0.0 0.29389093 0.53510072
|
||||
5*0.0 -0.09026519 -0.04533938 0.0 -0.02240276 -0.10498198 5*0.0 -0.31113159 0.30696965 0.0 0.30133919 0.52289367
|
||||
5*0.0 -0.08103049 -0.04660093 0.0 -0.02753339 -0.10511172 5*0.0 -0.33400735 0.28728775 0.0 0.30755290 0.51066331
|
||||
5*0.0 -0.07112370 -0.04749569 0.0 -0.03247187 -0.10514488 5*0.0 -0.35345582 0.26815720 0.0 0.31245751 0.49836698
|
||||
5*0.0 -0.06067506 -0.04803813 0.0 -0.03718591 -0.10505728 5*0.0 -0.36942264 0.24963110 0.0 0.31600526 0.48597125
|
||||
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5*0.0 0.07079242 -0.02180899 0.0 -0.06350416 -0.07337908 5*0.0 -0.22130248 0.03701807 0.0 0.19003932 0.23843672
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5*0.0 0.05926544 -0.01149865 0.0 -0.04910225 -0.05422354 5*0.0 -0.12037591 0.01305301 0.0 0.12034630 0.16206507
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5*0.0 0.03295659 -0.00398801 0.0 -0.02897531 -0.03299681 5*0.0 -0.04027072 0.00148754 0.0 0.05665742 0.09046073
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5*0.0 0.03028406 -0.00347945 0.0 -0.02702064 -0.03102589 5*0.0 -0.03464235 0.00093187 0.0 0.05153252 0.08432977
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5*0.0 0.02772799 -0.00302205 0.0 -0.02514679 -0.02913906 5*0.0 -0.02956240 0.00046722 0.0 0.04676563 0.07853579
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5*0.0 0.02082686 -0.00191932 0.0 -0.02003296 -0.02398031 5*0.0 -0.01727138 -0.00048698 0.0 0.03447014 0.06306833
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5*0.0 0.01689483 -0.00137365 0.0 -0.01705396 -0.02094932 5*0.0 -0.01119662 -0.00084541 0.0 0.02779011 0.05423707
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5*0.0 0.01512902 -0.00114801 0.0 -0.01569182 -0.01955154 5*0.0 -0.00869745 -0.00096325 0.0 0.02485741 0.05022967
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5*0.0 0.01349332 -0.00094995 0.0 -0.01441248 -0.01822952 5*0.0 -0.00651634 -0.00104810 0.0 0.02217495 0.04647822
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5*0.0 0.00711174 -0.00028637 0.0 -0.00917297 -0.01267193 5*0.0 0.00057194 -0.00113579 0.0 0.01198043 0.03114134
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5*0.0 0.00615668 -0.00020408 0.0 -0.00833614 -0.01175273 5*0.0 0.00139462 -0.00111040 0.0 0.01048426 0.02867701
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5*0.0 0.00529474 -0.00013441 0.0 -0.00756220 -0.01089136 5*0.0 0.00206759 -0.00107683 0.0 0.00913803 0.02638798
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5*0.0 0.00451974 -0.00007586 0.0 -0.00684784 -0.01008510 5*0.0 0.00260856 -0.00103701 0.0 0.00792970 0.02426391
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5*0.0 0.00382561 -0.00002710 0.0 -0.00618976 -0.00933126 5*0.0 0.00303370 -0.00099256 0.0 0.00684789 0.02229483
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5*0.0 0.00320635 0.00001309 0.0 -0.00558468 -0.00862719 5*0.0 0.00335779 -0.00094487 0.0 0.00588190 0.02047116
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5*0.0 0.00265618 0.00004582 0.0 -0.00502936 -0.00797031 5*0.0 0.00359424 -0.00089512 0.0 0.00502165 0.01878372
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5*0.0 0.00216947 0.00007206 0.0 -0.00452067 -0.00735806 5*0.0 0.00375517 -0.00084428 0.0 0.00425774 0.01722376
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5*0.0 0.00174088 0.00009270 0.0 -0.00405554 -0.00678798 5*0.0 0.00385151 -0.00079316 0.0 0.00358139 0.01578290
|
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5*0.0 0.00136529 0.00010853 0.0 -0.00363102 -0.00625767 5*0.0 0.00389303 -0.00074240 0.0 0.00298442 0.01445319
|
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5*0.0 0.00103787 0.00012024 0.0 -0.00324426 -0.00576483 5*0.0 0.00388849 -0.00069254 0.0 0.00245925 0.01322710
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5*0.0 0.00075405 0.00012846 0.0 -0.00289256 -0.00530721 5*0.0 0.00384565 -0.00064400 0.0 0.00199888 0.01209748
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5*0.0 0.00050957 0.00013373 0.0 -0.00257330 -0.00488269 5*0.0 0.00377139 -0.00059711 0.0 0.00159684 0.01105755
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5*0.0 0.00030044 0.00013652 0.0 -0.00228403 -0.00448920 5*0.0 0.00367177 -0.00055211 0.0 0.00124717 0.01010096
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5*0.0 0.00012295 0.00013727 0.0 -0.00202241 -0.00412478 5*0.0 0.00355210 -0.00050916 0.0 0.00094442 0.00922169
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5*0.0 -0.00002631 0.00013634 0.0 -0.00178624 -0.00378758 5*0.0 0.00341700 -0.00046840 0.0 0.00068359 0.00841410
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5*0.0 -0.00015051 0.00013405 0.0 -0.00157344 -0.00347579 5*0.0 0.00327047 -0.00042988 0.0 0.00046010 0.00767289
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5*0.0 -0.00025253 0.00013068 0.0 -0.00138207 -0.00318775 5*0.0 0.00311598 -0.00039365 0.0 0.00026980 0.00699307
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5*0.0 -0.00033505 0.00012646 0.0 -0.00121029 -0.00292183 5*0.0 0.00295645 -0.00035969 0.0 0.00010891 0.00637001
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5*0.0 -0.00040045 0.00012160 0.0 -0.00105642 -0.00267653 5*0.0 0.00279440 -0.00032797 0.0 -0.00002601 0.00579935
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5*0.0 -0.00045095 0.00011628 0.0 -0.00091887 -0.00245042 5*0.0 0.00263193 -0.00029844 0.0 -0.00013805 0.00527704
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5*0.0 -0.00048851 0.00011063 0.0 -0.00079616 -0.00224214 5*0.0 0.00247079 -0.00027104 0.0 -0.00023003 0.00479928
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5*0.0 -0.00051493 0.00010479 0.0 -0.00068693 -0.00205042 5*0.0 0.00231240 -0.00024569 0.0 -0.00030444 0.00436257
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5*0.0 -0.00053181 0.00009886 0.0 -0.00058993 -0.00187407 5*0.0 0.00215793 -0.00022229 0.0 -0.00036357 0.00396362
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5*0.0 -0.00054058 0.00009292 0.0 -0.00050397 -0.00171197 5*0.0 0.00200829 -0.00020074 0.0 -0.00040944 0.00359938
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5*0.0 -0.00054253 0.00008704 0.0 -0.00042801 -0.00156306 5*0.0 0.00186421 -0.00018096 0.0 -0.00044385 0.00326705
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5*0.0 -0.00053877 0.00008128 0.0 -0.00036104 -0.00142636 5*0.0 0.00172619 -0.00016284 0.0 -0.00046843 0.00296400
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5*0.0 -0.00053032 0.00007568 0.0 -0.00030217 -0.00130094 5*0.0 0.00159463 -0.00014627 0.0 -0.00048461 0.00268781
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5*0.0 -0.00051806 0.00007027 0.0 -0.00025056 -0.00118596 5*0.0 0.00146976 -0.00013115 0.0 -0.00049366 0.00243624
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5*0.0 -0.00050276 0.00006508 0.0 -0.00020547 -0.00108060 5*0.0 0.00135170 -0.00011739 0.0 -0.00049670 0.00220723
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5*0.0 -0.00048509 0.00006013 0.0 -0.00016620 -0.00098412 5*0.0 0.00124049 -0.00010488 0.0 -0.00049473 0.00199887
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5*0.0 -0.00046563 0.00005543 0.0 -0.00013213 -0.00089582 5*0.0 0.00113610 -0.00009355 0.0 -0.00048861 0.00180939
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5*0.0 -0.00044489 0.00005099 0.0 -0.00010268 -0.00081505 5*0.0 0.00103840 -0.00008328 0.0 -0.00047912 0.00163717
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5*0.0 -0.00042329 0.00004681 0.0 -0.00007735 -0.00074122 5*0.0 0.00094725 -0.00007401 0.0 -0.00046690 0.00148072
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5*0.0 -0.00040121 0.00004289 0.0 -0.00005566 -0.00067377 5*0.0 0.00086243 -0.00006565 0.0 -0.00045253 0.00133867
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5*0.0 -0.00037894 0.00003922 0.0 -0.00003719 -0.00061218 5*0.0 0.00078372 -0.00005812 0.0 -0.00043653 0.00120976
|
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5*0.0 -0.00035675 0.00003580 0.0 -0.00002157 -0.00055597 5*0.0 0.00071085 -0.00005136 0.0 -0.00041930 0.00109282
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5*0.0 -0.00033484 0.00003262 0.0 -0.00000845 -0.00050470 5*0.0 0.00064357 -0.00004529 0.0 -0.00040123 0.00098680
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5*0.0 -0.00031339 0.00002967 0.0 0.00000249 -0.00045796 5*0.0 0.00058157 -0.00003986 0.0 -0.00038261 0.00089072
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5*0.0 -0.00029255 0.00002694 0.0 0.00001150 -0.00041536 5*0.0 0.00052458 -0.00003500 0.0 -0.00036373 0.00080369
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5*0.0 -0.00027240 0.00002443 0.0 0.00001885 -0.00037658 5*0.0 0.00047230 -0.00003067 0.0 -0.00034479 0.00072489
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5*0.0 -0.00025305 0.00002211 0.0 0.00002474 -0.00034127 5*0.0 0.00042443 -0.00002681 0.0 -0.00032598 0.00065358
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5*0.0 -0.00023454 0.00001999 0.0 0.00002938 -0.00030914 5*0.0 0.00038071 -0.00002337 0.0 -0.00030745 0.00058907
|
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5*0.0 -0.00021692 0.00001804 0.0 0.00003293 -0.00027993 5*0.0 0.00034084 -0.00002033 0.0 -0.00028933 0.00053073
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5*0.0 -0.00020022 0.00001625 0.0 0.00003556 -0.00025337 5*0.0 0.00030455 -0.00001763 0.0 -0.00027171 0.00047801
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5*0.0 -0.00018443 0.00001462 0.0 0.00003740 -0.00022925 5*0.0 0.00027160 -0.00001524 0.0 -0.00025466 0.00043037
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5*0.0 -0.00016957 0.00001314 0.0 0.00003856 -0.00020734 5*0.0 0.00024172 -0.00001314 0.0 -0.00023825 0.00038735
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5*0.0 -0.00015562 0.00001179 0.0 0.00003916 -0.00018745 5*0.0 0.00021468 -0.00001128 0.0 -0.00022252 0.00034851
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5*0.0 -0.00014256 0.00001056 0.0 0.00003929 -0.00016941 5*0.0 0.00019026 -0.00000965 0.0 -0.00020749 0.00031346
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5*0.0 -0.00013038 0.00000945 0.0 0.00003903 -0.00015305 5*0.0 0.00016824 -0.00000822 0.0 -0.00019319 0.00028185
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5*0.0 -0.00011903 0.00000844 0.0 0.00003844 -0.00013821 5*0.0 0.00014842 -0.00000697 0.0 -0.00017961 0.00025334
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5*0.0 -0.00010849 0.00000753 0.0 0.00003760 -0.00012477 5*0.0 0.00013062 -0.00000588 0.0 -0.00016676 0.00022764
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5*0.0 -0.00009873 0.00000671 0.0 0.00003655 -0.00011260 5*0.0 0.00011466 -0.00000493 0.0 -0.00015463 0.00020449
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5*0.0 -0.00008970 0.00000596 0.0 0.00003534 -0.00010158 5*0.0 0.00010038 -0.00000410 0.0 -0.00014320 0.00018364
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5*0.0 -0.00008137 0.00000530 0.0 0.00003402 -0.00009160 5*0.0 0.00008762 -0.00000339 0.0 -0.00013246 0.00016486
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5*0.0 -0.00007370 0.00000470 0.0 0.00003260 -0.00008258 5*0.0 0.00007625 -0.00000277 0.0 -0.00012239 0.00014795
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5*0.0 -0.00006665 0.00000416 0.0 0.00003113 -0.00007442 5*0.0 0.00006613 -0.00000224 0.0 -0.00011297 0.00013275
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5*0.0 -0.00005427 0.00000324 0.0 0.00002811 -0.00006038 5*0.0 0.00004919 -0.00000139 0.0 -0.00009594 0.00010677
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5*0.0 -0.00004886 0.00000286 0.0 0.00002659 -0.00005436 5*0.0 0.00004216 -0.00000106 0.0 -0.00008829 0.00009571
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5*0.0 -0.00004392 0.00000251 0.0 0.00002509 -0.00004892 5*0.0 0.00003595 -0.00000078 0.0 -0.00008118 0.00008577
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5*0.0 -0.00003942 0.00000221 0.0 0.00002362 -0.00004402 5*0.0 0.00003049 -0.00000055 0.0 -0.00007457 0.00007685
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5*0.0 -0.00003533 0.00000193 0.0 0.00002219 -0.00003959 5*0.0 0.00002570 -0.00000035 0.0 -0.00006844 0.00006883
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5*0.0 -0.00003161 0.00000169 0.0 0.00002080 -0.00003560 5*0.0 0.00002151 -0.00000019 0.0 -0.00006276 0.00006164
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5*0.0 -0.00002824 0.00000148 0.0 0.00001947 -0.00003200 5*0.0 0.00001784 -0.00000005 0.0 -0.00005751 0.00005518
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5*0.0 -0.00002519 0.00000129 0.0 0.00001818 -0.00002875 5*0.0 0.00001466 0.00000006 0.0 -0.00005266 0.00004938
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5*0.0 -0.00002244 0.00000112 0.0 0.00001695 -0.00002583 5*0.0 0.00001189 0.00000015 0.0 -0.00004819 0.00004419
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5*0.0 -0.00001995 0.00000097 0.0 0.00001578 -0.00002320 5*0.0 0.00000951 0.00000022 0.0 -0.00004406 0.00003953
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5*0.0 -0.00001771 0.00000084 0.0 0.00001467 -0.00002083 5*0.0 0.00000745 0.00000027 0.0 -0.00004025 0.00003535
|
||||
5*0.0 -0.00001569 0.00000072 0.0 0.00001362 -0.00001870 5*0.0 0.00000569 0.00000031 0.0 -0.00003675 0.00003160
|
||||
5*0.0 -0.00001388 0.00000062 0.0 0.00001263 -0.00001678 5*0.0 0.00000418 0.00000034 0.0 -0.00003354 0.00002825
|
||||
5*0.0 -0.00001225 0.00000053 0.0 0.00001169 -0.00001505 5*0.0 0.00000290 0.00000036 0.0 -0.00003058 0.00002525
|
||||
5*0.0 -0.00001080 0.00000046 0.0 0.00001081 -0.00001350 5*0.0 0.00000183 0.00000038 0.0 -0.00002787 0.00002256
|
||||
5*0.0 -0.00000950 0.00000039 0.0 0.00000999 -0.00001210 5*0.0 0.00000092 0.00000038 0.0 -0.00002539 0.00002015
|
||||
5*0.0 -0.00000833 0.00000033 0.0 0.00000922 -0.00001085 5*0.0 0.00000017 0.00000038 0.0 -0.00002311 0.00001799
|
||||
5*0.0 -0.00000730 0.00000028 0.0 0.00000850 -0.00000972 5*0.0 -0.00000044 0.00000038 0.0 -0.00002102 0.00001606
|
||||
5*0.0 -0.00000638 0.00000023 0.0 0.00000782 -0.00000871 5*0.0 -0.00000095 0.00000037 0.0 -0.00001911 0.00001434
|
||||
5*0.0 -0.00000556 0.00000019 0.0 0.00000720 -0.00000780 5*0.0 -0.00000135 0.00000036 0.0 -0.00001737 0.00001280
|
||||
5*0.0 -0.00000483 0.00000016 0.0 0.00000662 -0.00000698 5*0.0 -0.00000167 0.00000035 0.0 -0.00001578 0.00001142
|
||||
5*0.0 -0.00000419 0.00000013 0.0 0.00000608 -0.00000625 5*0.0 -0.00000191 0.00000034 0.0 -0.00001432 0.00001018
|
||||
5*0.0 -0.00000362 0.00000011 0.0 0.00000557 -0.00000559 5*0.0 -0.00000209 0.00000033 0.0 -0.00001299 0.00000908
|
||||
5*0.0 -0.00000311 0.00000009 0.0 0.00000511 -0.00000501 5*0.0 -0.00000222 0.00000031 0.0 -0.00001179 0.00000810
|
||||
5*0.0 -0.00000267 0.00000007 0.0 0.00000468 -0.00000448 5*0.0 -0.00000231 0.00000029 0.0 -0.00001068 0.00000722
|
||||
5*0.0 -0.00000228 0.00000005 0.0 0.00000428 -0.00000400 5*0.0 -0.00000235 0.00000028 0.0 -0.00000968 0.00000643
|
||||
5*0.0 -0.00000194 0.00000004 0.0 0.00000392 -0.00000358 5*0.0 -0.00000237 0.00000026 0.0 -0.00000877 0.00000573
|
||||
5*0.0 -0.00000164 0.00000003 0.0 0.00000358 -0.00000320 5*0.0 -0.00000235 0.00000025 0.0 -0.00000794 0.00000511
|
||||
5*0.0 -0.00000138 0.00000002 0.0 0.00000327 -0.00000286 5*0.0 -0.00000232 0.00000023 0.0 -0.00000718 0.00000455
|
||||
5*0.0 -0.00000116 0.00000001 0.0 0.00000299 -0.00000256 5*0.0 -0.00000227 0.00000022 0.0 -0.00000649 0.00000405
|
||||
5*0.0 -0.00000096 0.00000001 0.0 0.00000272 -0.00000228 5*0.0 -0.00000221 0.00000020 0.0 -0.00000587 0.00000361
|
||||
5*0.0 -0.00000079 2*0.0 0.00000248 -0.00000204 5*0.0 -0.00000214 0.00000019 0.0 -0.00000531 0.00000321
|
||||
5*0.0 -0.00000064 2*0.0 0.00000226 -0.00000182 5*0.0 -0.00000205 0.00000018 0.0 -0.00000479 0.00000286
|
||||
5*0.0 -0.00000051 -0.00000001 0.0 0.00000206 -0.00000162 5*0.0 -0.00000197 0.00000016 0.0 -0.00000433 0.00000254
|
||||
5*0.0 -0.00000041 -0.00000001 0.0 0.00000187 -0.00000145 5*0.0 -0.00000188 0.00000015 0.0 -0.00000391 0.00000226
|
||||
5*0.0 -0.00000031 -0.00000001 0.0 0.00000170 -0.00000129 5*0.0 -0.00000179 0.00000014 0.0 -0.00000352 0.00000201
|
||||
5*0.0 -0.00000023 -0.00000001 0.0 0.00000155 -0.00000115 5*0.0 -0.00000169 0.00000013 0.0 -0.00000318 0.00000179
|
||||
5*0.0 -0.00000017 -0.00000001 0.0 0.00000141 -0.00000103 5*0.0 -0.00000160 0.00000012 0.0 -0.00000287 0.00000159
|
||||
5*0.0 -0.00000011 -0.00000001 0.0 0.00000128 -0.00000092 5*0.0 -0.00000151 0.00000011 0.0 -0.00000258 0.00000142
|
||||
5*0.0 -0.00000006 -0.00000001 0.0 0.00000116 -0.00000082 5*0.0 -0.00000142 0.00000010 0.0 -0.00000233 0.00000126
|
||||
5*0.0 -0.00000003 -0.00000001 0.0 0.00000105 -0.00000073 5*0.0 -0.00000133 0.00000009 0.0 -0.00000210 0.00000112
|
||||
5*0.0 0.00000001 -0.00000001 0.0 0.00000095 -0.00000065 5*0.0 -0.00000125 0.00000009 0.0 -0.00000189 0.00000099
|
||||
5*0.0 0.00000003 -0.00000001 0.0 0.00000086 -0.00000058 5*0.0 -0.00000116 0.00000008 0.0 -0.00000170 0.00000088
|
||||
5*0.0 0.00000005 -0.00000001 0.0 0.00000078 -0.00000052 5*0.0 -0.00000109 0.00000007 0.0 -0.00000153 0.00000078
|
||||
5*0.0 0.00000007 -0.00000001 0.0 0.00000071 -0.00000046 5*0.0 -0.00000101 0.00000007 0.0 -0.00000138 0.00000070
|
||||
5*0.0 0.00000008 -0.00000001 0.0 0.00000064 -0.00000041 5*0.0 -0.00000094 0.00000006 0.0 -0.00000124 0.00000062
|
||||
5*0.0 0.00000009 -0.00000001 0.0 0.00000058 -0.00000036 5*0.0 -0.00000087 0.00000005 0.0 -0.00000111 0.00000055
|
||||
5*0.0 0.00000010 -0.00000001 0.0 0.00000052 -0.00000032 5*0.0 -0.00000081 0.00000005 0.0 -0.00000100 0.00000049
|
||||
5*0.0 0.00000010 -0.00000001 0.0 0.00000047 -0.00000029 5*0.0 -0.00000075 0.00000005 0.0 -0.00000090 0.00000043
|
||||
5*0.0 0.00000011 -0.00000001 0.0 0.00000043 -0.00000026 5*0.0 -0.00000069 0.00000004 0.0 -0.00000081 0.00000038
|
||||
5*0.0 0.00000011 -0.00000001 0.0 0.00000039 -0.00000023 5*0.0 -0.00000064 0.00000004 0.0 -0.00000072 0.00000034
|
||||
5*0.0 0.00000011 -0.00000001 0.0 0.00000035 -0.00000020 5*0.0 -0.00000059 0.00000003 0.0 -0.00000065 0.00000030
|
||||
5*0.0 0.00000011 -0.00000001 0.0 0.00000032 -0.00000018 5*0.0 -0.00000054 0.00000003 0.0 -0.00000058 0.00000027
|
||||
5*0.0 0.00000010 -0.00000001 0.0 0.00000028 -0.00000016 5*0.0 -0.00000050 0.00000003 0.0 -0.00000052 0.00000024
|
||||
5*0.0 0.00000010 -0.00000001 0.0 0.00000026 -0.00000014 5*0.0 -0.00000046 0.00000003 0.0 -0.00000047 0.00000021
|
||||
5*0.0 0.00000010 -0.00000001 0.0 0.00000023 -0.00000013 5*0.0 -0.00000042 0.00000002 0.0 -0.00000042 0.00000019
|
||||
5*0.0 0.00000009 -0.00000001 0.0 0.00000021 -0.00000011 5*0.0 -0.00000039 0.00000002 0.0 -0.00000038 0.00000017
|
||||
5*0.0 0.00000009 -0.00000001 0.0 0.00000019 -0.00000010 5*0.0 -0.00000036 0.00000002 0.0 -0.00000034 0.00000015
|
||||
5*0.0 0.00000008 -0.00000001 0.0 0.00000017 -0.00000009 5*0.0 -0.00000033 0.00000002 0.0 -0.00000030 0.00000013
|
||||
501
tests/DFTB/nonscc/nb
Normal file
501
tests/DFTB/nonscc/nb
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500
|
||||
0.0, 0.242583 -0.698821 0.903016 -0.471580 -0.016866 0.119945 -0.044928 0.005361 4.30, 3.6, 9*0.0,
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 9.861020803050e-01 1.317981979760e+00 0.0 -3.477402271070e-02 1.065634785730e+00 5*0.0 -8.147954206060e-01 -9.155294437720e-01 0.0 -1.983424049640e-01 -8.570521110150e-01
|
||||
5*0.0 9.461025754450e-01 1.301226285440e+00 0.0 -1.648240805350e-02 1.021136164880e+00 5*0.0 -8.004015142700e-01 -9.103917656780e-01 0.0 -2.087025251810e-01 -8.520308776790e-01
|
||||
5*0.0 9.060408944040e-01 1.284173823970e+00 0.0 2.650553218640e-03 9.802175161870e-01 5*0.0 -7.855439813270e-01 -9.050562436860e-01 0.0 -2.190599025140e-01 -8.470148113110e-01
|
||||
5*0.0 8.660283156530e-01 1.266863054450e+00 0.0 2.248248734390e-02 9.427211082430e-01 5*0.0 -7.702492661190e-01 -8.995291006360e-01 0.0 -2.294045231230e-01 -8.420138072870e-01
|
||||
5*0.0 8.261668118400e-01 1.249330467350e+00 0.0 4.287932089080e-02 9.084777582810e-01 5*0.0 -7.545437993540e-01 -8.938166240450e-01 0.0 -2.397261200090e-01 -8.370361576430e-01
|
||||
5*0.0 7.865494618890e-01 1.231610614230e+00 0.0 6.371545757530e-02 8.773110533890e-01 5*0.0 -7.384539278240e-01 -8.879251512030e-01 0.0 -2.500142459190e-01 -8.320886707660e-01
|
||||
5*0.0 7.472608752330e-01 1.213736146820e+00 0.0 8.487382095080e-02 8.490407772380e-01 5*0.0 -7.220058497590e-01 -8.818610551110e-01 0.0 -2.602583413140e-01 -8.271767906800e-01
|
||||
5*0.0 7.083776227000e-01 1.195737863030e+00 0.0 1.062457914080e-01 8.234856731800e-01 5*0.0 -7.052255556140e-01 -8.756307312530e-01 0.0 -2.704477974420e-01 -8.223047143310e-01
|
||||
5*0.0 6.699686672050e-01 1.177644758610e+00 0.0 1.277310589850e-01 8.004656550910e-01 5*0.0 -6.881387740750e-01 -8.692405851820e-01 0.0 -2.805720145230e-01 -8.174755056970e-01
|
||||
5*0.0 6.320957910120e-01 1.159484082920e+00 0.0 1.492374104620e-01 7.798035578890e-01 5*0.0 -6.707709230460e-01 -8.626970209000e-01 0.0 -2.906204551980e-01 -8.126912057570e-01
|
||||
5*0.0 5.948140158930e-01 1.141281397580e+00 0.0 1.706804659580e-01 7.613265072390e-01 5*0.0 -6.531470653870e-01 -8.560064300010e-01 0.0 -3.005826933370e-01 -8.079529376900e-01
|
||||
5*0.0 5.581720137460e-01 1.123060637440e+00 0.0 1.919833785100e-01 7.448669730250e-01 5*0.0 -6.352918691470e-01 -8.491751815740e-01 0.0 -3.104484583570e-01 -8.032610067870e-01
|
||||
5*0.0 5.222125073760e-01 1.104844172310e+00 0.0 2.130765059880e-01 7.302635624550e-01 5*0.0 -6.172295720420e-01 -8.422096128080e-01 0.0 -3.202076752180e-01 -7.986149948050e-01
|
||||
5*0.0 4.869726567210e-01 1.086652870220e+00 0.0 2.338970647870e-01 7.173615970400e-01 5*0.0 -5.989839499380e-01 -8.351160203030e-01 0.0 -3.298505002770e-01 -7.940138485810e-01
|
||||
5*0.0 4.524844362780e-01 1.068506159560e+00 0.0 2.543887715120e-01 7.060135127810e-01 5*0.0 -5.805782890790e-01 -8.279006520350e-01 0.0 -3.393673531790e-01 -7.894559628310e-01
|
||||
5*0.0 4.187749936920e-01 1.050422092350e+00 0.0 2.745014797220e-01 6.960791141910e-01 5*0.0 -5.620353618240e-01 -8.205696999610e-01 0.0 -3.487489449910e-01 -7.849392571750e-01
|
||||
5*0.0 3.858669987180e-01 1.032417405740e+00 0.0 2.941908147980e-01 6.874257090050e-01 5*0.0 -5.433774056500e-01 -8.131292932220e-01 0.0 -3.579863027720e-01 -7.804612474750e-01
|
||||
5*0.0 3.537789743540e-01 1.014507583620e+00 0.0 3.134178125320e-01 6.799281455940e-01 5*0.0 -5.246261051860e-01 -8.055854919320e-01 0.0 -3.670707907730e-01 -7.760191116350e-01
|
||||
5*0.0 3.225256158760e-01 9.967069162750e-01 0.0 3.321485633270e-01 6.734687700840e-01 5*0.0 -5.058025770650e-01 -7.979442814990e-01 0.0 -3.759941284960e-01 -7.716097500400e-01
|
||||
5*0.0 2.921180938000e-01 9.790285591790e-01 0.0 3.503538645460e-01 6.679373207860e-01 5*0.0 -4.869273573640e-01 -7.902115674780e-01 0.0 -3.847484057700e-01 -7.672298408710e-01
|
||||
5*0.0 2.625643411960e-01 9.614845907100e-01 0.0 3.680088842360e-01 6.632307700470e-01 5*0.0 -4.680203914350e-01 -7.823931709060e-01 0.0 -3.933260950890e-01 -7.628758905080e-01
|
||||
5*0.0 2.338693289660e-01 9.440860674900e-01 0.0 3.850928356190e-01 6.592531265850e-01 5*0.0 -4.491010259360e-01 -7.744948240990e-01 0.0 -4.017200613730e-01 -7.585442792990e-01
|
||||
5*0.0 2.060353234490e-01 9.268430789430e-01 0.0 4.015886656020e-01 6.559152056400e-01 5*0.0 -4.301880028650e-01 -7.665221668820e-01 0.0 -4.099235693500e-01 -7.542313029340e-01
|
||||
5*0.0 1.790621323450e-01 9.097647994640e-01 0.0 4.174827564630e-01 6.531343757700e-01 5*0.0 -4.112994554300e-01 -7.584807432380e-01 0.0 -4.179302887690e-01 -7.499332097150e-01
|
||||
5*0.0 1.529473339220e-01 8.928595394170e-01 0.0 4.327646420980e-01 6.508342873330e-01 5*0.0 -3.924529055510e-01 -7.503759983180e-01 0.0 -4.257342975590e-01 -7.456462338720e-01
|
||||
5*0.0 1.276864950730e-01 8.761347937360e-01 0.0 4.474267392970e-01 6.489445901770e-01 5*0.0 -3.736652629950e-01 -7.422132758420e-01 0.0 -4.333300831950e-01 -7.413666254550e-01
|
||||
5*0.0 1.032733728280e-01 8.595972894470e-01 0.0 4.614640930980e-01 6.474006424350e-01 5*0.0 -3.549528257480e-01 -7.339978158090e-01 0.0 -4.407125423540e-01 -7.370906766850e-01
|
||||
5*0.0 7.970010571570e-02 8.432530304780e-01 0.0 4.748741377970e-01 6.461432166570e-01 5*0.0 -3.363312817090e-01 -7.257347525290e-01 0.0 -4.478769790630e-01 -7.328147452980e-01
|
||||
5*0.0 5.695738997790e-02 8.271073414540e-01 0.0 4.876564712490e-01 6.451182048150e-01 5*0.0 -3.178157114750e-01 -7.174291129560e-01 0.0 -4.548191014770e-01 -7.285352749740e-01
|
||||
5*0.0 3.503464496860e-02 8.111649091470e-01 0.0 4.998126447200e-01 6.442763259020e-01 5*0.0 -2.994205921500e-01 -7.090858152810e-01 0.0 -4.615350174200e-01 -7.242488131240e-01
|
||||
5*0.0 1.392016618240e-02 7.954298222590e-01 0.0 5.113459658310e-01 6.435728377720e-01 5*0.0 -2.811598020410e-01 -7.007096677840e-01 0.0 -4.680212288330e-01 -7.199520262410e-01
|
||||
5*0.0 -6.398732905140e-03 7.799056094900e-01 0.0 5.222613150690e-01 6.429672552980e-01 5*0.0 -2.630466261720e-01 -6.923053679240e-01 0.0 -4.742746252470e-01 -7.156417129990e-01
|
||||
5*0.0 -2.593558963430e-02 7.645952756800e-01 0.0 5.325649752300e-01 6.424230761160e-01 5*0.0 -2.450937625060e-01 -6.838775016420e-01 0.0 -4.802924764070e-01 -7.113148152910e-01
|
||||
5*0.0 -4.470467192160e-02 7.495013365210e-01 0.0 5.422644734230e-01 6.419075151860e-01 5*0.0 -2.273133288200e-01 -6.754305428710e-01 0.0 -4.860724241400e-01 -7.069684274210e-01
|
||||
5*0.0 -6.272086636990e-02 7.346258511100e-01 0.0 5.513684345810e-01 6.413912494280e-01 5*0.0 -2.097168701370e-01 -6.669688532280e-01 0.0 -4.916124735880e-01 -7.025998035650e-01
|
||||
5*0.0 -7.999957724880e-02 7.199704533850e-01 0.0 5.598864466110e-01 6.408481722690e-01 5*0.0 -1.923153666680e-01 -6.584966818850e-01 0.0 -4.969109838780e-01 -6.982063636850e-01
|
||||
5*0.0 -9.655663260390e-02 7.055363814510e-01 0.0 5.678289357650e-01 6.402551594910e-01 5*0.0 -1.751192421900e-01 -6.500181655970e-01 0.0 -5.019666583390e-01 -6.937856980450e-01
|
||||
5*0.0 -1.124082001930e-01 6.913245059190e-01 0.0 5.752070521150e-01 6.395918459770e-01 5*0.0 -1.581383728170e-01 -6.415373288730e-01 0.0 -5.067785343240e-01 -6.893355704530e-01
|
||||
5*0.0 -1.275707088670e-01 6.773353560320e-01 0.0 5.820325647960e-01 6.388404140040e-01 5*0.0 -1.413820961120e-01 -6.330580842960e-01 0.0 -5.113459727370e-01 -6.848539203350e-01
|
||||
5*0.0 -1.420607800020e-01 6.635691451580e-01 0.0 5.883177661620e-01 6.379853926160e-01 5*0.0 -1.248592204930e-01 -6.245842329510e-01 0.0 -5.156686472990e-01 -6.803388638090e-01
|
||||
5*0.0 -1.558951628810e-01 6.500257942120e-01 0.0 5.940753837550e-01 6.370134685820e-01 5*0.0 -1.085780348970e-01 -6.161194649850e-01 0.0 -5.197465336350e-01 -6.757886938070e-01
|
||||
5*0.0 -1.690906776680e-01 6.367049540290e-01 0.0 5.993185001650e-01 6.359133081660e-01 5*0.0 -9.254631867170e-02 -6.076673602610e-01 0.0 -5.235798982410e-01 -6.712018793810e-01
|
||||
5*0.0 -1.816641639840e-01 6.236060264370e-01 0.0 6.040604806270e-01 6.346753899290e-01 5*0.0 -7.677135164910e-02 -5.992313891130e-01 0.0 -5.271692873640e-01 -6.665770642720e-01
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||||
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|
||||
5*0.0 -9.418559467610e-05 9.765286702550e-06 0.0 6.520899508200e-05 8.846960558810e-05 5*0.0 2.643861063000e-04 -2.821841475940e-05 0.0 -1.235686389630e-04 -1.271521550460e-04
|
||||
5*0.0 -9.170487285180e-05 9.527557085990e-06 0.0 6.330273967110e-05 8.666661971550e-05 5*0.0 2.642363411750e-04 -2.754125331180e-05 0.0 -1.208316114970e-04 -1.235505253290e-04
|
||||
5*0.0 -8.935690201210e-05 9.296500166970e-06 0.0 6.145700911530e-05 8.488386765100e-05 5*0.0 2.640365966200e-04 -2.686762296430e-05 0.0 -1.181101178000e-04 -1.199556525310e-04
|
||||
5*0.0 -8.713548022200e-05 9.071771153720e-06 0.0 5.966908720980e-05 8.312022720270e-05 5*0.0 2.637856452840e-04 -2.619761592340e-05 0.0 -1.154040684290e-04 -1.163682798860e-04
|
||||
5*0.0 -8.503462472320e-05 8.853042359960e-06 0.0 5.793637565650e-05 8.137464675200e-05 5*0.0 2.634824075540e-04 -2.553132617140e-05 0.0 -1.127134136870e-04 -1.127891606360e-04
|
||||
5*0.0 -8.304856638110e-05 8.640002666000e-06 0.0 5.625638979380e-05 7.964614216680e-05 5*0.0 2.631259455470e-04 -2.486884916230e-05 0.0 -1.100381407330e-04 -1.092190556440e-04
|
||||
5*0.0 -8.117174306010e-05 8.432356701710e-06 0.0 5.462675461070e-05 7.793379434980e-05 5*0.0 2.627154557410e-04 -2.421028144480e-05 0.0 -1.073782712490e-04 -1.056587328740e-04
|
||||
5*0.0 -7.939879422720e-05 8.229824308340e-06 0.0 5.304520072050e-05 7.623674628240e-05 5*0.0 2.622502634820e-04 -2.355572043320e-05 0.0 -1.047338588070e-04 -1.021089651910e-04
|
||||
5*0.0 -7.772455502550e-05 8.032139852780e-06 0.0 5.150956041790e-05 7.455420039050e-05 5*0.0 2.617298165200e-04 -2.290526398280e-05 0.0 -1.021049862660e-04 -9.857052897230e-05
|
||||
5*0.0 -7.614405094810e-05 7.839051593320e-06 0.0 5.001776401020e-05 7.288541593530e-05 5*0.0 2.611536798230e-04 -2.225901020440e-05 0.0 -9.949176353010e-05 -9.504420231260e-05
|
||||
5*0.0 -7.465249220260e-05 7.650321193170e-06 0.0 4.856783603910e-05 7.122970666940e-05 5*0.0 2.605215288850e-04 -2.161705715100e-05 0.0 -9.689432526100e-05 -9.153076463750e-05
|
||||
5*0.0 -7.324526864420e-05 7.465723102560e-06 0.0 4.715789194750e-05 6.958643826030e-05 5*0.0 2.598331454780e-04 -2.097950266730e-05 0.0 -9.431282897100e-05 -8.803099437400e-05
|
||||
5*0.0 -7.191794413470e-05 7.285043974310e-06 0.0 4.578613451930e-05 6.795502612260e-05 5*0.0 2.590884115280e-04 -2.034644402930e-05 0.0 -9.174745270970e-05 -8.454566841600e-05
|
||||
5*0.0 -7.066625198960e-05 7.108082235980e-06 0.0 4.445085053360e-05 6.633493305150e-05 5*0.0 2.582873042780e-04 -1.971797781300e-05 0.0 -8.919839325470e-05 -8.107556080850e-05
|
||||
5*0.0 -6.948608954950e-05 6.934647489130e-06 0.0 4.315040765200e-05 6.472566711070e-05 5*0.0 2.574298915890e-04 -1.909419969120e-05 0.0 -8.666586439570e-05 -7.762144148790e-05
|
||||
5*0.0 -6.837351379110e-05 6.764560085420e-06 0.0 4.188325107510e-05 6.312677933860e-05 5*0.0 2.565163268830e-04 -1.847520420420e-05 0.0 -8.415009454660e-05 -7.418407530840e-05
|
||||
5*0.0 -6.732473606960e-05 6.597650657980e-06 0.0 4.064790089250e-05 6.153786207580e-05 5*0.0 2.555468448840e-04 -1.786108468770e-05 0.0 -8.165132618750e-05 -7.076422128410e-05
|
||||
5*0.0 -6.633611773100e-05 6.433759536310e-06 0.0 3.944294879170e-05 5.995854666010e-05 5*0.0 2.545217564380e-04 -1.725193285790e-05 0.0 -7.916981324100e-05 -6.736263156510e-05
|
||||
5*0.0 -6.540416583540e-05 6.272736563720e-06 0.0 3.826705538980e-05 5.838850165710e-05 5*0.0 2.534414453360e-04 -1.664783906070e-05 0.0 -7.670581994570e-05 -6.398005043330e-05
|
||||
5*0.0 -6.452552818670e-05 6.114440391070e-06 0.0 3.711894753470e-05 5.682743103520e-05 5*0.0 2.523063633990e-04 -1.604889175670e-05 0.0 -7.425961969990e-05 -6.061721355910e-05
|
||||
5*0.0 -6.369698950380e-05 5.958738269490e-06 0.0 3.599741541000e-05 5.527507228940e-05 5*0.0 2.511170267480e-04 -1.545517759830e-05 0.0 -7.183149297820e-05 -5.727484722810e-05
|
||||
5*0.0 -6.291546693560e-05 5.805505594500e-06 0.0 3.490131031280e-05 5.373119491470e-05 5*0.0 2.498740117430e-04 -1.486678127290e-05 0.0 -6.942172690510e-05 -5.395366800210e-05
|
||||
5*0.0 -6.217800608600e-05 5.654625478650e-06 0.0 3.382954189980e-05 5.219559859970e-05 5*0.0 2.485779516160e-04 -1.428378532630e-05 0.0 -6.703061348100e-05 -5.065438159080e-05
|
||||
5*0.0 -6.148177677520e-05 5.505988473900e-06 0.0 3.278107580530e-05 5.066811158730e-05 5*0.0 2.472295326420e-04 -1.370627020270e-05 0.0 -6.465844830830e-05 -4.737768203440e-05
|
||||
5*0.0 -6.082406954920e-05 5.359492189100e-06 0.0 3.175493137220e-05 4.914858926900e-05 5*0.0 2.458294909910e-04 -1.313431405170e-05 0.0 -6.230552995590e-05 -4.412425179300e-05
|
||||
5*0.0 -6.020229134560e-05 5.215040902190e-06 0.0 3.075017947520e-05 4.763691267970e-05 5*0.0 2.443786089900e-04 -1.256799262990e-05 0.0 -5.997215876080e-05 -4.089476086670e-05
|
||||
5*0.0 -5.961396227050e-05 5.072545328110e-06 0.0 2.976594013010e-05 4.613298695220e-05 5*0.0 2.428777123830e-04 -1.200737932060e-05 0.0 -5.765863554120e-05 -3.768986615020e-05
|
||||
5*0.0 -5.905671146300e-05 4.931922206820e-06 0.0 2.880138061440e-05 4.463674008550e-05 5*0.0 2.413276668400e-04 -1.145254497200e-05 0.0 -5.536526117170e-05 -3.451021128910e-05
|
||||
5*0.0 -5.852827398320e-05 4.793094101690e-06 0.0 2.785571325380e-05 4.314812146700e-05 5*0.0 2.397293754790e-04 -1.090355795790e-05 0.0 -5.309233528070e-05 -3.135642590380e-05
|
||||
5*0.0 -5.802648705430e-05 4.655989014550e-06 0.0 2.692819356510e-05 4.166710071890e-05 5*0.0 2.380837755010e-04 -1.036048396680e-05 0.0 -5.084015575020e-05 -2.822912553870e-05
|
||||
5*0.0 -5.754928685310e-05 4.520540161020e-06 0.0 2.601811836810e-05 4.019366640090e-05 5*0.0 2.363918358320e-04 -9.823386078610e-06 0.0 -4.860901785070e-05 -2.512891108220e-05
|
||||
5*0.0 -5.709470536710e-05 4.386685783420e-06 0.0 2.512482380150e-05 3.872782478300e-05 5*0.0 2.346545546990e-04 -9.292324818640e-06 0.0 -4.639921335240e-05 -2.205636845530e-05
|
||||
5*0.0 -5.666086661940e-05 4.254368670910e-06 0.0 2.424768381900e-05 3.726959888160e-05 5*0.0 2.328729561730e-04 -8.767357786090e-06 0.0 -4.421103029150e-05 -1.901206867200e-05
|
||||
5*0.0 -5.624598439990e-05 4.123536159690e-06 0.0 2.338610815040e-05 3.581902705210e-05 5*0.0 2.310480891110e-04 -8.248540031100e-06 0.0 -4.204475174860e-05 -1.599656681200e-05
|
||||
5*0.0 -5.584835850930e-05 3.994139733910e-06 0.0 2.253954100860e-05 3.437616227510e-05 5*0.0 2.291810235820e-04 -7.735923754880e-06 0.0 -3.990065591620e-05 -1.301040275150e-05
|
||||
5*0.0 -5.546637222410e-05 3.866134873050e-06 0.0 2.170745917170e-05 3.294107086500e-05 5*0.0 2.272728495260e-04 -7.229558432150e-06 0.0 -3.777901497540e-05 -1.005410012080e-05
|
||||
5*0.0 -5.509848917520e-05 3.739480795840e-06 0.0 2.088937069660e-05 3.151383166350e-05 5*0.0 2.253246742000e-04 -6.729490746270e-06 0.0 -3.568009501030e-05 -7.128166615040e-06
|
||||
5*0.0 -5.474325076960e-05 3.614140296610e-06 0.0 2.008481333520e-05 3.009453506240e-05 5*0.0 2.233376202410e-04 -6.235764621040e-06 0.0 -3.360415542550e-05 -4.233093742790e-06
|
||||
5*0.0 -5.439927329370e-05 3.490079485920e-06 0.0 1.929335306570e-05 2.868328202130e-05 5*0.0 2.213128237190e-04 -5.748421159560e-06 0.0 -3.155144832850e-05 -1.369356503610e-06
|
||||
5*0.0 -5.406524530080e-05 3.367267646530e-06 0.0 1.851458289120e-05 2.728018338750e-05 5*0.0 2.192514321420e-04 -5.267498696390e-06 0.0 -2.952221857570e-05 1.462586308250e-06
|
||||
5*0.0 -5.373992516910e-05 3.245677030450e-06 0.0 1.774812130410e-05 2.588535881530e-05 5*0.0 2.171546031440e-04 -4.793032831950e-06 0.0 -2.751670287810e-05 4.262292834280e-06
|
||||
5*0.0 -5.342213837860e-05 3.125282704210e-06 0.0 1.699361117540e-05 2.449893626020e-05 5*0.0 2.150235020730e-04 -4.325056385880e-06 0.0 -2.553512995130e-05 7.029337407870e-06
|
||||
5*0.0 -5.311077513610e-05 3.006062297610e-06 0.0 1.625071845950e-05 2.312105097040e-05 5*0.0 2.128593007090e-04 -3.863599352770e-06 0.0 -2.357771993710e-05 9.763311234200e-06
|
||||
5*0.0 -5.280478823980e-05 2.887995978940e-06 0.0 1.551913101480e-05 2.175184489520e-05 5*0.0 2.106631761390e-04 -3.408689134000e-06 0.0 -2.164468415950e-05 1.246382229870e-05
|
||||
5*0.0 -5.250319029870e-05 2.771066167680e-06 0.0 1.479855753520e-05 2.039146601170e-05 5*0.0 2.084363083760e-04 -2.960350309010e-06 0.0 -1.973622512970e-05 1.513049499240e-05
|
||||
5*0.0 -5.220505197830e-05 2.655257474060e-06 0.0 1.408872638420e-05 1.904006756670e-05 5*0.0 2.061798796020e-04 -2.518604797490e-06 0.0 -1.785253604520e-05 1.776297051550e-05
|
||||
5*0.0 -5.190949958990e-05 2.540556527690e-06 0.0 1.338938454420e-05 1.769780744890e-05 5*0.0 2.038950728030e-04 -2.083471897600e-06 0.0 -1.599380064520e-05 2.036090681840e-05
|
||||
5*0.0 -5.161571288700e-05 2.426951824550e-06 0.0 1.270029671080e-05 1.636484768880e-05 5*0.0 2.015830700400e-04 -1.654968213600e-06 0.0 -1.416019329870e-05 2.292397821750e-05
|
||||
5*0.0 -5.132292329560e-05 2.314433625540e-06 0.0 1.202124418580e-05 1.504135373320e-05 5*0.0 1.992450518100e-04 -1.233107772960e-06 0.0 -1.235187849790e-05 2.545187583940e-05
|
||||
5*0.0 -5.103041171210e-05 2.202993818960e-06 0.0 1.135202406670e-05 1.372749399760e-05 5*0.0 1.968821958500e-04 -8.179020657540e-07 0.0 -1.056901099120e-05 2.794430724270e-05
|
||||
5*0.0 -5.073750601320e-05 2.092625776790e-06 0.0 1.069244835380e-05 1.242343948490e-05 5*0.0 1.944956737400e-04 -4.093598257240e-07 0.0 -8.811736072690e-06 3.040099551380e-05
|
||||
5*0.0 -5.044358120400e-05 1.983324433160e-06 0.0 1.004234290680e-05 1.112936270520e-05 5*0.0 1.920866562390e-04 -7.487871871480e-09 0.0 -7.080188053610e-06 3.282168170850e-05
|
||||
5*0.0 -5.014805462460e-05 1.875085731590e-06 0.0 9.401546910930e-06 9.845437953770e-06 5*0.0 1.896563036670e-04 3.877102164700e-07 0.0 -5.374492201120e-06 3.520612164030e-05
|
||||
5*0.0 -4.985038584850e-05 1.767906962370e-06 0.0 8.769911994410e-06 8.571840556150e-06 5*0.0 1.872057699840e-04 7.762329301470e-07 0.0 -3.694763760550e-06 3.755408694000e-05
|
||||
5*0.0 -4.955007650650e-05 1.661786598750e-06 0.0 8.147301133170e-06 7.308745847740e-06 5*0.0 1.847362048360e-04 1.158080922350e-06 0.0 -2.041106487050e-06 3.986536730740e-05
|
||||
5*0.0 -4.924666486620e-05 1.556723964330e-06 0.0 7.533588519560e-06 6.056329974780e-06 5*0.0 1.822487442780e-04 1.533257607090e-06 0.0 -4.136156379730e-07 4.213976550740e-05
|
||||
5*0.0 -4.893972740190e-05 1.452719380770e-06 0.0 6.928658561900e-06 4.814768381100e-06 5*0.0 1.797445180660e-04 1.901768326090e-06 0.0 1.187624120650e-06 4.437710169070e-05
|
||||
5*0.0 -4.862887606380e-05 1.349774042310e-06 0.0 6.332404974490e-06 3.584236152820e-06 5*0.0 1.772246448340e-04 2.263620762480e-06 0.0 2.762538736270e-06 4.657721053440e-05
|
||||
5*0.0 -4.831375595160e-05 1.247889614850e-06 0.0 5.744730713400e-06 2.364907285370e-06 5*0.0 1.746902302150e-04 2.618825361910e-06 0.0 4.311063285970e-06 4.873994226290e-05
|
||||
5*0.0 -4.799404575830e-05 1.147068799260e-06 0.0 5.165547011710e-06 1.156954481950e-06 5*0.0 1.721423715430e-04 2.967393871540e-06 0.0 5.833143296470e-06 5.086516251470e-05
|
||||
5*0.0 -4.766945534220e-05 1.047314777170e-06 0.0 4.594772559810e-06 -3.945123393700e-08 5*0.0 1.695821528860e-04 3.309340575170e-06 0.0 7.328734715570e-06 5.295275180110e-05
|
||||
5*0.0 -4.733972290060e-05 9.486310760550e-07 0.0 4.032333621480e-06 -1.224140501080e-06 5*0.0 1.670106430890e-04 3.644682125250e-06 0.0 8.797802311670e-06 5.500260458390e-05
|
||||
5*0.0 -4.700461651250e-05 8.510220800890e-07 0.0 3.478163076830e-06 -2.396946266930e-06 5*0.0 1.644289009580e-04 3.973436380880e-06 0.0 1.024032083000e-05 5.701463041890e-05
|
||||
5*0.0 -4.666393088490e-05 7.544921787300e-07 0.0 2.932199658880e-06 -3.557704089640e-06 5*0.0 1.618379700740e-04 4.295624084690e-06 0.0 1.165627570790e-05 5.898875372500e-05
|
||||
5*0.0 -4.631748649420e-05 6.590463763960e-07 0.0 2.394388133510e-06 -4.706251938490e-06 5*0.0 1.592388799540e-04 4.611267337550e-06 0.0 1.304566079590e-05 6.092491212090e-05
|
||||
5*0.0 -4.596512793430e-05 5.646897872660e-07 0.0 1.864678445090e-06 -5.842430734480e-06 5*0.0 1.566326442800e-04 4.920390468670e-06 0.0 1.440847955250e-05 6.282305720760e-05
|
||||
5*0.0 -4.560672429620e-05 4.714279619090e-07 0.0 1.343025148440e-06 -6.966084603430e-06 5*0.0 1.540202632820e-04 5.223019341660e-06 0.0 1.574474534910e-05 6.468315463550e-05
|
||||
5*0.0 -4.524216618800e-05 3.792665354590e-07 0.0 8.293873928240e-07 -8.077060885890e-06 5*0.0 1.514027209510e-04 5.519181699910e-06 0.0 1.705448014180e-05 6.650518310340e-05
|
||||
5*0.0 -4.487136612730e-05 2.882113485570e-07 0.0 3.237281543760e-07 -9.175210610750e-06 5*0.0 1.487809862350e-04 5.808907026570e-06 0.0 1.833771556370e-05 6.828913525700e-05
|
||||
202
tests/DFTB/nonscc/nbnb
Normal file
202
tests/DFTB/nonscc/nbnb
Normal file
|
|
@ -0,0 +1,202 @@
|
|||
0.1, 200,
|
||||
-0.1454, -0.0385, -0.1532, 0.0 0.0 0.0 0.0 4.0 0.0 1.0 T F
|
||||
92.91, 0.039873063 -0.031963718 0.0132019941 5*0.0, 6.5, 6.5, 5.0, 0.0, 1.0, 6*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
-1.21831 -0.40292 -1.76443 0.33892 0.55883 -0.14500 -0.51816 0.23604 0.14334 -0.52805 0.83580 0.84483 0.93877 -0.06549 -0.07098 0.90430 0.96332 0.01324 -0.12754 0.94999
|
||||
-1.29104 -0.43489 -1.49274 0.07478 0.51432 0.03967 -0.42358 -0.00391 0.21823 -0.49370 0.77776 0.78956 0.91451 -0.06418 -0.07936 0.86439 0.94757 0.02721 -0.15500 0.93039
|
||||
-1.05864 -0.54572 -1.32382 -0.01589 0.43282 0.10771 -0.33899 -0.10377 0.22973 -0.44486 0.71198 0.73015 0.88880 -0.06008 -0.08412 0.82292 0.93026 0.04186 -0.17928 0.90881
|
||||
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
||||
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|
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|
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|
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|
||||
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|
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3*0.0 0.00002 0.0 0.00006 0.00001 0.0 -0.00002 0.00002 3*0.0 -0.00002 -0.00001 0.00014 -0.00009 0.00002 0.00033 -0.00014
|
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|
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|
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3*0.0 0.00001 0.0 0.00005 0.00001 0.0 -0.00003 0.00002 3*0.0 -0.00001 -0.00001 0.00020 -0.00008 0.00002 0.00033 -0.00013
|
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3*0.0 0.00001 0.0 0.00004 0.00001 0.0 -0.00003 0.00002 3*0.0 -0.00001 -0.00001 0.00022 -0.00008 0.00002 0.00032 -0.00013
|
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3*0.0 0.00001 0.0 0.00004 0.00001 0.0 -0.00003 0.00002 4*0.0 -0.00001 0.00024 -0.00008 0.00002 0.00032 -0.00013
|
||||
3*0.0 0.00001 0.0 0.00003 0.00001 0.0 -0.00003 0.00002 4*0.0 -0.00001 0.00025 -0.00008 0.00002 0.00032 -0.00013
|
||||
3*0.0 0.00001 0.0 0.00003 0.00001 0.0 -0.00003 0.00002 4*0.0 -0.00001 0.00026 -0.00008 0.00002 0.00032 -0.00012
|
||||
3*0.0 0.00001 0.0 0.00002 0.00001 0.0 -0.00003 0.00002 3*0.0 0.00001 -0.00001 0.00027 -0.00007 0.00002 0.00031 -0.00012
|
||||
3*0.0 0.00001 0.0 0.00002 0.00001 0.0 -0.00003 0.00002 3*0.0 0.00001 -0.00001 0.00028 -0.00007 0.00002 0.00031 -0.00012
|
||||
3*0.0 0.00001 0.0 0.00001 0.00001 0.0 -0.00003 0.00002 3*0.0 0.00001 -0.00001 0.00028 -0.00007 0.00002 0.00030 -0.00011
|
||||
5*0.0 0.00001 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00002 -0.00001 0.00029 -0.00007 0.00002 0.00030 -0.00011
|
||||
5*0.0 0.00001 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00002 -0.00001 0.00030 -0.00007 0.00002 0.00029 -0.00011
|
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6*0.0 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00002 -0.00001 0.00030 -0.00006 0.00002 0.00029 -0.00010
|
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6*0.0 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00002 -0.00001 0.00030 -0.00006 0.00002 0.00028 -0.00010
|
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6*0.0 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00002 -0.00001 0.00030 -0.00006 0.00002 0.00028 -0.00010
|
||||
5*0.0 -0.00001 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00002 -0.00001 0.00030 -0.00006 0.00002 0.00027 -0.00010
|
||||
5*0.0 -0.00001 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00002 -0.00001 0.00030 -0.00006 0.00002 0.00026 -0.00009
|
||||
5*0.0 -0.00001 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00002 -0.00001 0.00030 -0.00005 0.00002 0.00026 -0.00009
|
||||
5*0.0 -0.00001 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00003 -0.00001 0.00030 -0.00005 0.00002 0.00025 -0.00009
|
||||
5*0.0 -0.00002 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00003 -0.00001 0.00030 -0.00005 0.00002 0.00024 -0.00008
|
||||
5*0.0 -0.00002 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00003 -0.00001 0.00029 -0.00005 0.00002 0.00024 -0.00008
|
||||
5*0.0 -0.00002 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00003 -0.00001 0.00029 -0.00005 0.00002 0.00023 -0.00008
|
||||
5*0.0 -0.00002 0.00001 0.0 -0.00004 0.00002 3*0.0 0.00003 -0.00001 0.00029 -0.00005 0.00001 0.00022 -0.00007
|
||||
5*0.0 -0.00002 0.00001 0.0 -0.00004 0.00001 3*0.0 0.00003 -0.00001 0.00028 -0.00004 0.00001 0.00022 -0.00007
|
||||
5*0.0 -0.00002 0.00001 0.0 -0.00004 0.00001 3*0.0 0.00003 -0.00001 0.00028 -0.00004 0.00001 0.00021 -0.00007
|
||||
5*0.0 -0.00003 0.00001 0.0 -0.00004 0.00001 3*0.0 0.00003 -0.00001 0.00027 -0.00004 0.00001 0.00020 -0.00007
|
||||
3*0.0 -0.00001 0.0 -0.00003 0.00001 0.0 -0.00004 0.00001 3*0.0 0.00003 -0.00001 0.00027 -0.00004 0.00001 0.00020 -0.00006
|
||||
3*0.0 -0.00001 0.0 -0.00003 0.00001 0.0 -0.00003 0.00001 3*0.0 0.00003 -0.00001 0.00026 -0.00004 0.00001 0.00019 -0.00006
|
||||
3*0.0 -0.00001 0.0 -0.00003 0.00001 0.0 -0.00003 0.00001 3*0.0 0.00003 -0.00001 0.00026 -0.00004 0.00001 0.00018 -0.00006
|
||||
3*0.0 -0.00001 0.0 -0.00003 0.00001 0.0 -0.00003 0.00001 3*0.0 0.00003 -0.00001 0.00025 -0.00003 0.00001 0.00018 -0.00006
|
||||
201
tests/DFTB/nonscc/nbs
Normal file
201
tests/DFTB/nonscc/nbs
Normal file
|
|
@ -0,0 +1,201 @@
|
|||
0.1, 199,
|
||||
0.0, 0.1819984589 -0.2293276827 0.1217709688 5*0.0, 5.0, 5.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 0.27121 -0.36970 0.0 0.42800 0.01343 5*0.0 -0.40049 -0.36630 0.0 -0.11902 0.40153
|
||||
5*0.0 0.43122 -0.22188 0.0 0.51995 -0.03517 5*0.0 -0.41542 -0.37473 0.0 -0.14034 0.41162
|
||||
5*0.0 0.41732 -0.11244 0.0 0.48679 -0.10800 5*0.0 -0.42445 -0.38234 0.0 -0.15482 0.42160
|
||||
5*0.0 0.32338 -0.04301 0.0 0.40000 -0.19135 5*0.0 -0.42847 -0.38870 0.0 -0.16361 0.43088
|
||||
5*0.0 0.21991 -0.00383 0.0 0.31129 -0.26216 5*0.0 -0.42927 -0.39374 0.0 -0.16832 0.43864
|
||||
5*0.0 0.14347 0.01645 0.0 0.24553 -0.30805 5*0.0 -0.42846 -0.39765 0.0 -0.17031 0.44428
|
||||
5*0.0 0.10499 0.02691 0.0 0.20830 -0.32797 5*0.0 -0.42703 -0.40066 0.0 -0.17041 0.44758
|
||||
5*0.0 0.10082 0.03359 0.0 0.19500 -0.32737 5*0.0 -0.42525 -0.40298 0.0 -0.16891 0.44869
|
||||
5*0.0 0.12122 0.03991 0.0 0.19740 -0.31386 5*0.0 -0.42283 -0.40474 0.0 -0.16575 0.44801
|
||||
5*0.0 0.15539 0.04742 0.0 0.20728 -0.29447 5*0.0 -0.41914 -0.40600 0.0 -0.16066 0.44602
|
||||
5*0.0 0.19406 0.05651 0.0 0.21819 -0.27454 5*0.0 -0.41342 -0.40675 0.0 -0.15331 0.44322
|
||||
5*0.0 0.23039 0.06692 0.0 0.22580 -0.25747 5*0.0 -0.40495 -0.40693 0.0 -0.14344 0.44003
|
||||
5*0.0 0.25997 0.07811 0.0 0.22773 -0.24498 5*0.0 -0.39314 -0.40646 0.0 -0.13094 0.43675
|
||||
5*0.0 0.28048 0.08945 0.0 0.22311 -0.23753 5*0.0 -0.37757 -0.40524 0.0 -0.11579 0.43357
|
||||
5*0.0 0.29115 0.10041 0.0 0.21211 -0.23479 5*0.0 -0.35805 -0.40317 0.0 -0.09814 0.43056
|
||||
5*0.0 0.29228 0.11052 0.0 0.19555 -0.23594 5*0.0 -0.33457 -0.40020 0.0 -0.07824 0.42772
|
||||
5*0.0 0.28487 0.11945 0.0 0.17456 -0.23997 5*0.0 -0.30728 -0.39625 0.0 -0.05643 0.42498
|
||||
5*0.0 0.27026 0.12701 0.0 0.15038 -0.24585 5*0.0 -0.27649 -0.39129 0.0 -0.03312 0.42221
|
||||
5*0.0 0.24992 0.13308 0.0 0.12420 -0.25267 5*0.0 -0.24263 -0.38532 0.0 -0.00873 0.41928
|
||||
5*0.0 0.22531 0.13763 0.0 0.09708 -0.25962 5*0.0 -0.20619 -0.37833 0.0 0.01628 0.41605
|
||||
5*0.0 0.19778 0.14072 0.0 0.06994 -0.26610 5*0.0 -0.16773 -0.37036 0.0 0.04148 0.41236
|
||||
5*0.0 0.16852 0.14242 0.0 0.04349 -0.27164 5*0.0 -0.12787 -0.36146 0.0 0.06644 0.40811
|
||||
5*0.0 0.13852 0.14285 0.0 0.01830 -0.27592 5*0.0 -0.08719 -0.35170 0.0 0.09077 0.40318
|
||||
5*0.0 0.10863 0.14214 0.0 -0.00523 -0.27875 5*0.0 -0.04629 -0.34114 0.0 0.11412 0.39749
|
||||
5*0.0 0.07948 0.14042 0.0 -0.02682 -0.28004 5*0.0 -0.00575 -0.32989 0.0 0.13618 0.39099
|
||||
5*0.0 0.05160 0.13783 0.0 -0.04631 -0.27978 5*0.0 0.03390 -0.31802 0.0 0.15670 0.38366
|
||||
5*0.0 0.02534 0.13451 0.0 -0.06361 -0.27800 5*0.0 0.07217 -0.30565 0.0 0.17546 0.37547
|
||||
5*0.0 0.00097 0.13059 0.0 -0.07871 -0.27478 5*0.0 0.10862 -0.29287 0.0 0.19230 0.36646
|
||||
5*0.0 -0.02135 0.12619 0.0 -0.09167 -0.27025 5*0.0 0.14290 -0.27978 0.0 0.20710 0.35665
|
||||
5*0.0 -0.04153 0.12141 0.0 -0.10255 -0.26453 5*0.0 0.17468 -0.26648 0.0 0.21979 0.34609
|
||||
5*0.0 -0.05954 0.11634 0.0 -0.11147 -0.25777 5*0.0 0.20372 -0.25307 0.0 0.23034 0.33486
|
||||
5*0.0 -0.07539 0.11109 0.0 -0.11856 -0.25011 5*0.0 0.22984 -0.23964 0.0 0.23876 0.32303
|
||||
5*0.0 -0.08916 0.10571 0.0 -0.12396 -0.24169 5*0.0 0.25290 -0.22627 0.0 0.24508 0.31067
|
||||
5*0.0 -0.10092 0.10028 0.0 -0.12783 -0.23265 5*0.0 0.27286 -0.21305 0.0 0.24937 0.29789
|
||||
5*0.0 -0.11078 0.09485 0.0 -0.13030 -0.22313 5*0.0 0.28968 -0.20003 0.0 0.25174 0.28477
|
||||
5*0.0 -0.11885 0.08947 0.0 -0.13152 -0.21325 5*0.0 0.30341 -0.18729 0.0 0.25229 0.27142
|
||||
5*0.0 -0.12528 0.08418 0.0 -0.13165 -0.20313 5*0.0 0.31412 -0.17489 0.0 0.25115 0.25791
|
||||
5*0.0 -0.13018 0.07901 0.0 -0.13081 -0.19287 5*0.0 0.32191 -0.16286 0.0 0.24846 0.24435
|
||||
5*0.0 -0.13369 0.07398 0.0 -0.12914 -0.18257 5*0.0 0.32694 -0.15125 0.0 0.24438 0.23081
|
||||
5*0.0 -0.13595 0.06913 0.0 -0.12676 -0.17232 5*0.0 0.32936 -0.14010 0.0 0.23906 0.21738
|
||||
5*0.0 -0.13708 0.06445 0.0 -0.12377 -0.16217 5*0.0 0.32936 -0.12942 0.0 0.23265 0.20414
|
||||
5*0.0 -0.13720 0.05997 0.0 -0.12029 -0.15221 5*0.0 0.32715 -0.11925 0.0 0.22531 0.19115
|
||||
5*0.0 -0.13644 0.05569 0.0 -0.11640 -0.14249 5*0.0 0.32293 -0.10959 0.0 0.21719 0.17846
|
||||
5*0.0 -0.13490 0.05162 0.0 -0.11219 -0.13304 5*0.0 0.31691 -0.10044 0.0 0.20843 0.16615
|
||||
5*0.0 -0.13269 0.04775 0.0 -0.10774 -0.12391 5*0.0 0.30932 -0.09183 0.0 0.19918 0.15424
|
||||
5*0.0 -0.12991 0.04410 0.0 -0.10311 -0.11514 5*0.0 0.30036 -0.08373 0.0 0.18956 0.14278
|
||||
5*0.0 -0.12663 0.04065 0.0 -0.09837 -0.10673 5*0.0 0.29024 -0.07615 0.0 0.17969 0.13180
|
||||
5*0.0 -0.12295 0.03740 0.0 -0.09355 -0.09871 5*0.0 0.27916 -0.06907 0.0 0.16968 0.12133
|
||||
5*0.0 -0.11894 0.03436 0.0 -0.08872 -0.09109 5*0.0 0.26731 -0.06249 0.0 0.15964 0.11137
|
||||
5*0.0 -0.11466 0.03151 0.0 -0.08391 -0.08388 5*0.0 0.25487 -0.05638 0.0 0.14965 0.10194
|
||||
5*0.0 -0.11017 0.02884 0.0 -0.07915 -0.07707 5*0.0 0.24202 -0.05073 0.0 0.13979 0.09305
|
||||
5*0.0 -0.10553 0.02636 0.0 -0.07447 -0.07066 5*0.0 0.22889 -0.04553 0.0 0.13012 0.08470
|
||||
5*0.0 -0.10079 0.02404 0.0 -0.06990 -0.06465 5*0.0 0.21564 -0.04075 0.0 0.12072 0.07688
|
||||
5*0.0 -0.09600 0.02189 0.0 -0.06545 -0.05903 5*0.0 0.20238 -0.03637 0.0 0.11161 0.06958
|
||||
5*0.0 -0.09118 0.01990 0.0 -0.06114 -0.05379 5*0.0 0.18923 -0.03236 0.0 0.10285 0.06279
|
||||
5*0.0 -0.08637 0.01806 0.0 -0.05698 -0.04891 5*0.0 0.17628 -0.02872 0.0 0.09447 0.05651
|
||||
5*0.0 -0.08161 0.01636 0.0 -0.05299 -0.04439 5*0.0 0.16363 -0.02541 0.0 0.08649 0.05070
|
||||
5*0.0 -0.07692 0.01479 0.0 -0.04917 -0.04020 5*0.0 0.15134 -0.02241 0.0 0.07893 0.04535
|
||||
5*0.0 -0.07232 0.01335 0.0 -0.04553 -0.03634 5*0.0 0.13948 -0.01970 0.0 0.07179 0.04045
|
||||
5*0.0 -0.06783 0.01203 0.0 -0.04206 -0.03278 5*0.0 0.12808 -0.01727 0.0 0.06509 0.03597
|
||||
5*0.0 -0.06346 0.01081 0.0 -0.03878 -0.02951 5*0.0 0.11720 -0.01508 0.0 0.05882 0.03188
|
||||
5*0.0 -0.05923 0.00970 0.0 -0.03567 -0.02651 5*0.0 0.10685 -0.01313 0.0 0.05298 0.02817
|
||||
5*0.0 -0.05516 0.00869 0.0 -0.03274 -0.02377 5*0.0 0.09706 -0.01139 0.0 0.04756 0.02481
|
||||
5*0.0 -0.05124 0.00777 0.0 -0.02999 -0.02126 5*0.0 0.08785 -0.00984 0.0 0.04255 0.02177
|
||||
5*0.0 -0.04748 0.00693 0.0 -0.02741 -0.01898 5*0.0 0.07920 -0.00846 0.0 0.03793 0.01904
|
||||
5*0.0 -0.04390 0.00616 0.0 -0.02499 -0.01691 5*0.0 0.07113 -0.00725 0.0 0.03370 0.01660
|
||||
5*0.0 -0.04048 0.00547 0.0 -0.02274 -0.01503 5*0.0 0.06363 -0.00619 0.0 0.02983 0.01441
|
||||
5*0.0 -0.03724 0.00485 0.0 -0.02064 -0.01334 5*0.0 0.05668 -0.00525 0.0 0.02631 0.01247
|
||||
5*0.0 -0.03418 0.00429 0.0 -0.01869 -0.01180 5*0.0 0.05028 -0.00444 0.0 0.02311 0.01074
|
||||
5*0.0 -0.03129 0.00378 0.0 -0.01689 -0.01042 5*0.0 0.04439 -0.00373 0.0 0.02022 0.00922
|
||||
5*0.0 -0.02857 0.00332 0.0 -0.01522 -0.00918 5*0.0 0.03901 -0.00312 0.0 0.01761 0.00788
|
||||
5*0.0 -0.02602 0.00292 0.0 -0.01369 -0.00807 5*0.0 0.03411 -0.00259 0.0 0.01528 0.00670
|
||||
5*0.0 -0.02363 0.00255 0.0 -0.01228 -0.00707 5*0.0 0.02967 -0.00213 0.0 0.01319 0.00568
|
||||
5*0.0 -0.02140 0.00223 0.0 -0.01098 -0.00618 5*0.0 0.02565 -0.00175 0.0 0.01133 0.00479
|
||||
5*0.0 -0.01933 0.00194 0.0 -0.00980 -0.00539 5*0.0 0.02204 -0.00142 0.0 0.00969 0.00402
|
||||
5*0.0 -0.01741 0.00168 0.0 -0.00872 -0.00469 5*0.0 0.01880 -0.00114 0.0 0.00823 0.00335
|
||||
5*0.0 -0.01563 0.00145 0.0 -0.00774 -0.00407 5*0.0 0.01592 -0.00091 0.0 0.00695 0.00278
|
||||
5*0.0 -0.01399 0.00125 0.0 -0.00685 -0.00352 5*0.0 0.01336 -0.00072 0.0 0.00584 0.00230
|
||||
5*0.0 -0.01248 0.00108 0.0 -0.00604 -0.00304 5*0.0 0.01110 -0.00056 0.0 0.00486 0.00189
|
||||
5*0.0 -0.01110 0.00092 0.0 -0.00531 -0.00261 5*0.0 0.00912 -0.00044 0.0 0.00402 0.00155
|
||||
5*0.0 -0.00983 0.00078 0.0 -0.00465 -0.00224 5*0.0 0.00740 -0.00033 0.0 0.00329 0.00127
|
||||
5*0.0 -0.00868 0.00067 0.0 -0.00407 -0.00191 5*0.0 0.00590 -0.00025 0.0 0.00267 0.00103
|
||||
5*0.0 -0.00763 0.00056 0.0 -0.00354 -0.00163 5*0.0 0.00461 -0.00019 0.0 0.00214 0.00084
|
||||
5*0.0 -0.00669 0.00048 0.0 -0.00307 -0.00139 5*0.0 0.00351 -0.00014 0.0 0.00170 0.00068
|
||||
5*0.0 -0.00583 0.00040 0.0 -0.00265 -0.00118 5*0.0 0.00258 -0.00010 0.0 0.00132 0.00056
|
||||
5*0.0 -0.00506 0.00033 0.0 -0.00228 -0.00099 5*0.0 0.00180 -0.00008 0.0 0.00102 0.00046
|
||||
5*0.0 -0.00437 0.00028 0.0 -0.00195 -0.00084 5*0.0 0.00115 -0.00006 0.0 0.00076 0.00038
|
||||
5*0.0 -0.00375 0.00023 0.0 -0.00166 -0.00070 5*0.0 0.00062 -0.00005 0.0 0.00055 0.00033
|
||||
5*0.0 -0.00320 0.00019 0.0 -0.00141 -0.00059 5*0.0 0.00020 -0.00004 0.0 0.00039 0.00029
|
||||
5*0.0 -0.00272 0.00016 0.0 -0.00119 -0.00049 5*0.0 -0.00013 -0.00004 0.0 0.00026 0.00026
|
||||
5*0.0 -0.00229 0.00013 0.0 -0.00099 -0.00041 5*0.0 -0.00039 -0.00005 0.0 0.00016 0.00024
|
||||
5*0.0 -0.00191 0.00010 0.0 -0.00083 -0.00034 5*0.0 -0.00057 -0.00005 0.0 0.00009 0.00023
|
||||
5*0.0 -0.00158 0.00008 0.0 -0.00068 -0.00029 5*0.0 -0.00070 -0.00006 0.0 0.00004 0.00022
|
||||
5*0.0 -0.00130 0.00007 0.0 -0.00056 -0.00024 5*0.0 -0.00078 -0.00006 2*0.0 0.00022
|
||||
5*0.0 -0.00105 0.00006 0.0 -0.00046 -0.00020 5*0.0 -0.00081 -0.00007 0.0 -0.00002 0.00022
|
||||
5*0.0 -0.00084 0.00005 0.0 -0.00037 -0.00017 5*0.0 -0.00082 -0.00008 0.0 -0.00003 0.00023
|
||||
5*0.0 -0.00066 0.00004 0.0 -0.00029 -0.00015 5*0.0 -0.00079 -0.00009 0.0 -0.00002 0.00023
|
||||
5*0.0 -0.00051 0.00003 0.0 -0.00023 -0.00013 5*0.0 -0.00075 -0.00009 0.0 -0.00002 0.00024
|
||||
5*0.0 -0.00038 0.00003 0.0 -0.00018 -0.00011 5*0.0 -0.00068 -0.00010 2*0.0 0.00024
|
||||
5*0.0 -0.00028 0.00002 0.0 -0.00014 -0.00010 5*0.0 -0.00061 -0.00010 0.0 0.00001 0.00025
|
||||
5*0.0 -0.00019 0.00002 0.0 -0.00010 -0.00009 5*0.0 -0.00052 -0.00011 0.0 0.00003 0.00025
|
||||
5*0.0 -0.00012 0.00002 0.0 -0.00007 -0.00008 5*0.0 -0.00043 -0.00011 0.0 0.00005 0.00026
|
||||
5*0.0 -0.00007 0.00002 0.0 -0.00005 -0.00007 5*0.0 -0.00034 -0.00011 0.0 0.00007 0.00026
|
||||
5*0.0 -0.00003 0.00002 0.0 -0.00004 -0.00007 5*0.0 -0.00024 -0.00012 0.0 0.00009 0.00026
|
||||
6*0.0 0.00002 0.0 -0.00003 -0.00007 5*0.0 -0.00015 -0.00012 0.0 0.00011 0.00026
|
||||
5*0.0 0.00002 0.00002 0.0 -0.00002 -0.00006 5*0.0 -0.00006 -0.00012 0.0 0.00013 0.00025
|
||||
5*0.0 0.00004 0.00002 0.0 -0.00001 -0.00006 5*0.0 0.00003 -0.00012 0.0 0.00015 0.00025
|
||||
5*0.0 0.00004 0.00002 0.0 -0.00001 -0.00006 5*0.0 0.00011 -0.00011 0.0 0.00016 0.00024
|
||||
5*0.0 0.00004 0.00002 0.0 -0.00001 -0.00006 5*0.0 0.00019 -0.00011 0.0 0.00018 0.00023
|
||||
5*0.0 0.00004 0.00002 0.0 -0.00001 -0.00006 5*0.0 0.00026 -0.00011 0.0 0.00019 0.00023
|
||||
5*0.0 0.00004 0.00002 0.0 -0.00001 -0.00006 5*0.0 0.00033 -0.00010 0.0 0.00020 0.00022
|
||||
5*0.0 0.00003 0.00002 0.0 -0.00001 -0.00006 5*0.0 0.00038 -0.00010 0.0 0.00021 0.00021
|
||||
5*0.0 0.00002 0.00002 0.0 -0.00001 -0.00005 5*0.0 0.00044 -0.00010 0.0 0.00021 0.00019
|
||||
6*0.0 0.00002 0.0 -0.00001 -0.00005 5*0.0 0.00048 -0.00009 0.0 0.00021 0.00018
|
||||
5*0.0 -0.00001 0.00002 0.0 -0.00002 -0.00005 5*0.0 0.00052 -0.00009 0.0 0.00022 0.00017
|
||||
5*0.0 -0.00002 0.00002 0.0 -0.00002 -0.00005 5*0.0 0.00055 -0.00008 0.0 0.00022 0.00016
|
||||
5*0.0 -0.00003 0.00002 0.0 -0.00002 -0.00005 5*0.0 0.00057 -0.00008 0.0 0.00021 0.00014
|
||||
5*0.0 -0.00005 0.00002 0.0 -0.00003 -0.00004 5*0.0 0.00059 -0.00007 0.0 0.00021 0.00013
|
||||
5*0.0 -0.00006 0.00002 0.0 -0.00003 -0.00004 5*0.0 0.00061 -0.00007 0.0 0.00021 0.00012
|
||||
5*0.0 -0.00007 0.00002 0.0 -0.00003 -0.00004 5*0.0 0.00062 -0.00006 0.0 0.00020 0.00010
|
||||
5*0.0 -0.00008 0.00002 0.0 -0.00003 -0.00004 5*0.0 0.00062 -0.00005 0.0 0.00019 0.00009
|
||||
5*0.0 -0.00009 0.00001 0.0 -0.00004 -0.00003 5*0.0 0.00062 -0.00005 0.0 0.00019 0.00008
|
||||
5*0.0 -0.00010 0.00001 0.0 -0.00004 -0.00003 5*0.0 0.00062 -0.00004 0.0 0.00018 0.00006
|
||||
5*0.0 -0.00011 0.00001 0.0 -0.00004 -0.00003 5*0.0 0.00061 -0.00004 0.0 0.00017 0.00005
|
||||
5*0.0 -0.00011 0.00001 0.0 -0.00004 -0.00002 5*0.0 0.00060 -0.00003 0.0 0.00016 0.00004
|
||||
5*0.0 -0.00012 0.00001 0.0 -0.00004 -0.00002 5*0.0 0.00059 -0.00003 0.0 0.00015 0.00003
|
||||
5*0.0 -0.00012 0.00001 0.0 -0.00004 -0.00002 5*0.0 0.00057 -0.00002 0.0 0.00014 0.00001
|
||||
5*0.0 -0.00012 0.00001 0.0 -0.00004 -0.00001 5*0.0 0.00055 -0.00002 0.0 0.00013 0.0
|
||||
5*0.0 -0.00013 0.00001 0.0 -0.00004 -0.00001 5*0.0 0.00053 -0.00002 0.0 0.00012 -0.00001
|
||||
5*0.0 -0.00013 0.00001 0.0 -0.00004 -0.00001 5*0.0 0.00051 -0.00001 0.0 0.00011 -0.00002
|
||||
5*0.0 -0.00013 0.00001 0.0 -0.00004 6*0.0 0.00049 -0.00001 0.0 0.00010 -0.00003
|
||||
5*0.0 -0.00013 0.00001 0.0 -0.00004 6*0.0 0.00046 2*0.0 0.00009 -0.00003
|
||||
5*0.0 -0.00013 2*0.0 -0.00004 6*0.0 0.00044 2*0.0 0.00008 -0.00004
|
||||
5*0.0 -0.00012 2*0.0 -0.00003 6*0.0 0.00041 2*0.0 0.00007 -0.00005
|
||||
5*0.0 -0.00012 2*0.0 -0.00003 0.00001 5*0.0 0.00039 0.00001 0.0 0.00007 -0.00006
|
||||
5*0.0 -0.00012 2*0.0 -0.00003 0.00001 5*0.0 0.00036 0.00001 0.0 0.00006 -0.00006
|
||||
5*0.0 -0.00012 2*0.0 -0.00003 0.00001 5*0.0 0.00034 0.00001 0.0 0.00005 -0.00007
|
||||
5*0.0 -0.00011 2*0.0 -0.00003 0.00001 5*0.0 0.00031 0.00001 0.0 0.00004 -0.00007
|
||||
5*0.0 -0.00011 2*0.0 -0.00003 0.00002 5*0.0 0.00029 0.00002 0.0 0.00003 -0.00008
|
||||
5*0.0 -0.00010 2*0.0 -0.00002 0.00002 5*0.0 0.00027 0.00002 0.0 0.00003 -0.00008
|
||||
5*0.0 -0.00010 2*0.0 -0.00002 0.00002 5*0.0 0.00024 0.00002 0.0 0.00002 -0.00009
|
||||
5*0.0 -0.00009 2*0.0 -0.00002 0.00002 5*0.0 0.00022 0.00002 0.0 0.00001 -0.00009
|
||||
5*0.0 -0.00009 2*0.0 -0.00002 0.00002 5*0.0 0.00020 0.00002 0.0 0.00001 -0.00009
|
||||
5*0.0 -0.00008 2*0.0 -0.00002 0.00002 5*0.0 0.00018 0.00002 2*0.0 -0.00009
|
||||
5*0.0 -0.00008 2*0.0 -0.00001 0.00003 5*0.0 0.00016 0.00002 2*0.0 -0.00010
|
||||
5*0.0 -0.00007 -0.00001 0.0 -0.00001 0.00003 5*0.0 0.00014 0.00002 0.0 -0.00001 -0.00010
|
||||
5*0.0 -0.00007 -0.00001 0.0 -0.00001 0.00003 5*0.0 0.00012 0.00002 0.0 -0.00001 -0.00010
|
||||
5*0.0 -0.00006 -0.00001 0.0 -0.00001 0.00003 5*0.0 0.00010 0.00003 0.0 -0.00002 -0.00010
|
||||
5*0.0 -0.00005 -0.00001 0.0 -0.00001 0.00003 5*0.0 0.00008 0.00003 0.0 -0.00002 -0.00010
|
||||
5*0.0 -0.00005 -0.00001 0.0 -0.00001 0.00003 5*0.0 0.00007 0.00003 0.0 -0.00002 -0.00010
|
||||
5*0.0 -0.00004 -0.00001 2*0.0 0.00003 5*0.0 0.00005 0.00003 0.0 -0.00003 -0.00010
|
||||
5*0.0 -0.00004 -0.00001 2*0.0 0.00003 5*0.0 0.00004 0.00003 0.0 -0.00003 -0.00010
|
||||
5*0.0 -0.00003 -0.00001 2*0.0 0.00003 5*0.0 0.00003 0.00003 0.0 -0.00003 -0.00010
|
||||
5*0.0 -0.00003 -0.00001 2*0.0 0.00003 5*0.0 0.00001 0.00003 0.0 -0.00003 -0.00010
|
||||
5*0.0 -0.00003 -0.00001 2*0.0 0.00003 6*0.0 0.00003 0.0 -0.00004 -0.00010
|
||||
5*0.0 -0.00002 -0.00001 2*0.0 0.00003 5*0.0 -0.00001 0.00003 0.0 -0.00004 -0.00009
|
||||
5*0.0 -0.00002 -0.00001 2*0.0 0.00003 5*0.0 -0.00002 0.00003 0.0 -0.00004 -0.00009
|
||||
5*0.0 -0.00001 -0.00001 2*0.0 0.00003 5*0.0 -0.00003 0.00003 0.0 -0.00004 -0.00009
|
||||
5*0.0 -0.00001 -0.00001 2*0.0 0.00003 5*0.0 -0.00004 0.00003 0.0 -0.00004 -0.00009
|
||||
5*0.0 -0.00001 -0.00001 2*0.0 0.00003 5*0.0 -0.00004 0.00003 0.0 -0.00004 -0.00009
|
||||
6*0.0 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00005 0.00002 0.0 -0.00004 -0.00009
|
||||
6*0.0 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00006 0.00002 0.0 -0.00004 -0.00008
|
||||
6*0.0 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00006 0.00002 0.0 -0.00004 -0.00008
|
||||
5*0.0 0.00001 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00007 0.00002 0.0 -0.00004 -0.00008
|
||||
5*0.0 0.00001 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00007 0.00002 0.0 -0.00004 -0.00008
|
||||
5*0.0 0.00001 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00007 0.00002 0.0 -0.00004 -0.00007
|
||||
5*0.0 0.00001 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00008 0.00002 0.0 -0.00004 -0.00007
|
||||
5*0.0 0.00001 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00008 0.00002 0.0 -0.00004 -0.00007
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00008 0.00002 0.0 -0.00004 -0.00007
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00008 0.00002 0.0 -0.00004 -0.00006
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00009 0.00002 0.0 -0.00004 -0.00006
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00003 5*0.0 -0.00009 0.00002 0.0 -0.00004 -0.00006
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00002 0.0 -0.00004 -0.00006
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00002 0.0 -0.00004 -0.00005
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00002 0.0 -0.00004 -0.00005
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00002 0.0 -0.00003 -0.00005
|
||||
5*0.0 0.00002 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00002 0.0 -0.00003 -0.00005
|
||||
5*0.0 0.00003 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00001 0.0 -0.00003 -0.00004
|
||||
5*0.0 0.00003 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00001 0.0 -0.00003 -0.00004
|
||||
5*0.0 0.00003 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00001 0.0 -0.00003 -0.00004
|
||||
5*0.0 0.00003 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00009 0.00001 0.0 -0.00003 -0.00004
|
||||
5*0.0 0.00003 -0.00001 0.0 0.00001 0.00002 5*0.0 -0.00008 0.00001 0.0 -0.00003 -0.00004
|
||||
5*0.0 0.00003 2*0.0 0.00001 0.00002 5*0.0 -0.00008 0.00001 0.0 -0.00003 -0.00003
|
||||
5*0.0 0.00003 2*0.0 0.00001 0.00002 5*0.0 -0.00008 0.00001 0.0 -0.00003 -0.00003
|
||||
5*0.0 0.00003 2*0.0 0.00001 0.00002 5*0.0 -0.00008 0.00001 0.0 -0.00002 -0.00003
|
||||
5*0.0 0.00003 2*0.0 0.00001 0.00002 5*0.0 -0.00008 0.00001 0.0 -0.00002 -0.00003
|
||||
5*0.0 0.00003 2*0.0 0.00001 0.00001 5*0.0 -0.00008 0.00001 0.0 -0.00002 -0.00003
|
||||
5*0.0 0.00003 2*0.0 0.00001 0.00001 5*0.0 -0.00008 0.00001 0.0 -0.00002 -0.00002
|
||||
5*0.0 0.00003 2*0.0 0.00001 0.00001 5*0.0 -0.00007 0.00001 0.0 -0.00002 -0.00002
|
||||
5*0.0 0.00002 2*0.0 0.00001 0.00001 5*0.0 -0.00007 0.00001 0.0 -0.00002 -0.00002
|
||||
5*0.0 0.00002 2*0.0 0.00001 0.00001 5*0.0 -0.00007 0.00001 0.0 -0.00002 -0.00002
|
||||
5*0.0 0.00002 2*0.0 0.00001 0.00001 5*0.0 -0.00007 0.00001 0.0 -0.00002 -0.00002
|
||||
5*0.0 0.00002 2*0.0 0.00001 0.00001 5*0.0 -0.00007 0.00001 0.0 -0.00002 -0.00002
|
||||
5*0.0 0.00002 2*0.0 0.00001 0.00001 5*0.0 -0.00006 0.00001 0.0 -0.00002 -0.00001
|
||||
5*0.0 0.00002 2*0.0 0.00001 0.00001 5*0.0 -0.00006 0.00001 0.0 -0.00002 -0.00001
|
||||
5*0.0 0.00002 2*0.0 0.00001 0.00001 5*0.0 -0.00006 0.00001 0.0 -0.00001 -0.00001
|
||||
501
tests/DFTB/nonscc/nc
Normal file
501
tests/DFTB/nonscc/nc
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500
|
||||
0.0 0.094775 -0.103204 +0.029460 +0.023871 4*0.0 3.78 3.0 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -1.147968910330e+00 -1.621708598130e+00 0.0 1.691249173730e-01 -1.319704502880e+00 5*0.0 8.128177338400e-01 9.302174284960e-01 0.0 1.755643775570e-01 9.010111148240e-01
|
||||
5*0.0 -1.092552141670e+00 -1.597829629720e+00 0.0 1.450764547730e-01 -1.267536809440e+00 5*0.0 7.962689130500e-01 9.242349418790e-01 0.0 1.854497841600e-01 8.951545758290e-01
|
||||
5*0.0 -1.037341341870e+00 -1.573606594760e+00 0.0 1.197535677210e-01 -1.219962693950e+00 5*0.0 7.792346256070e-01 9.180329352540e-01 0.0 1.953863364010e-01 8.893116108300e-01
|
||||
5*0.0 -9.824921286710e-01 -1.549096765640e+00 0.0 9.338476605410e-02 -1.176725048120e+00 5*0.0 7.617490842650e-01 9.116196789400e-01 0.0 2.053605410970e-01 8.834922301860e-01
|
||||
5*0.0 -9.281449765670e-01 -1.524354035560e+00 0.0 6.618290139540e-02 -1.137558523050e+00 5*0.0 7.438462418560e-01 9.050034853200e-01 0.0 2.153585560860e-01 8.777045070920e-01
|
||||
5*0.0 -8.744260646510e-01 -1.499429005050e+00 0.0 3.834519130990e-02 -1.102194736900e+00 5*0.0 7.255597004570e-01 8.981926881790e-01 0.0 2.253663045380e-01 8.719547477740e-01
|
||||
5*0.0 -8.214481311360e-01 -1.474369081430e+00 0.0 1.005345852190e-02 -1.070366381800e+00 5*0.0 7.069226296300e-01 8.911956235030e-01 0.0 2.353695795200e-01 8.662476579310e-01
|
||||
5*0.0 -7.693113082980e-01 -1.449218588460e+00 0.0 -1.852546852500e-02 -1.041810421530e+00 5*0.0 6.879676932770e-01 8.840206116630e-01 0.0 2.453541390840e-01 8.605865036410e-01
|
||||
5*0.0 -7.181039381970e-01 -1.424018881200e+00 0.0 -4.723923531560e-02 -1.016270541460e+00 5*0.0 6.687269845370e-01 8.766759409700e-01 0.0 2.553057922890e-01 8.549732654460e-01
|
||||
5*0.0 -6.679033600480e-01 -1.398808464680e+00 0.0 -7.594935512860e-02 -9.934989918610e-01 5*0.0 6.492319683140e-01 8.691698524960e-01 0.0 2.652104765420e-01 8.494087849900e-01
|
||||
5*0.0 -6.187766643430e-01 -1.373623115340e+00 0.0 -1.045305480150e-01 -9.732579322830e-01 5*0.0 6.295134308770e-01 8.615105261580e-01 0.0 2.750543267470e-01 8.438929033130e-01
|
||||
5*0.0 -5.707814177970e-01 -1.348496001710e+00 0.0 -1.328700434020e-01 -9.553203756570e-01 5*0.0 6.096014360860e-01 8.537060679610e-01 0.0 2.848237367220e-01 8.384245906930e-01
|
||||
5*0.0 -5.239663513860e-01 -1.323457805600e+00 0.0 -1.608668656930e-01 -9.394708090660e-01 5*0.0 5.895252877630e-01 8.457644983710e-01 0.0 2.945054133660e-01 8.330020677500e-01
|
||||
5*0.0 -4.783720173750e-01 -1.298536840920e+00 0.0 -1.884311169330e-01 -9.255055527450e-01 5*0.0 5.693134978020e-01 8.376937417500e-01 0.0 3.040864240670e-01 8.276229178130e-01
|
||||
5*0.0 -4.340314131700e-01 -1.273759170610e+00 0.0 -2.154832650650e-01 -9.132329148120e-01 5*0.0 5.489937593230e-01 8.295016167700e-01 0.0 3.135542377660e-01 8.222841908280e-01
|
||||
5*0.0 -3.909705724490e-01 -1.249148721040e+00 0.0 -2.419534462600e-01 -9.024731779470e-01 5*0.0 5.285929250930e-01 8.211958278290e-01 0.0 3.228967602750e-01 8.169824985050e-01
|
||||
5*0.0 -3.492091270640e-01 -1.224727392870e+00 0.0 -2.677807871760e-01 -8.930584596970e-01 5*0.0 5.081369899980e-01 8.127839573080e-01 0.0 3.321023641020e-01 8.117141015970e-01
|
||||
5*0.0 -3.087608374270e-01 -1.200515169430e+00 0.0 -2.929127522170e-01 -8.848324699550e-01 5*0.0 4.876510777720e-01 8.042734586870e-01 0.0 3.411599133540e-01 8.064749892130e-01
|
||||
5*0.0 -2.696340966310e-01 -1.176530220770e+00 0.0 -3.173045152050e-01 -8.776501916040e-01 5*0.0 4.671594314270e-01 7.956716504510e-01 0.0 3.500587840470e-01 8.012609506130e-01
|
||||
5*0.0 -2.318324041860e-01 -1.152789004960e+00 0.0 -3.409183613350e-01 -8.713775017910e-01 5*0.0 4.466854070720e-01 7.869857107230e-01 0.0 3.587888802330e-01 7.960676398930e-01
|
||||
5*0.0 -1.953548150490e-01 -1.129306365430e+00 0.0 -3.637231180460e-01 -8.658907500970e-01 5*0.0 4.262514708080e-01 7.782226725970e-01 0.0 3.673406463000e-01 7.908906339340e-01
|
||||
5*0.0 -1.601963652500e-01 -1.106095623890e+00 0.0 -3.856936141120e-01 -8.610763058660e-01 5*0.0 4.058791984140e-01 7.693894201050e-01 0.0 3.757050757710e-01 7.857254840280e-01
|
||||
5*0.0 -1.263484655070e-01 -1.083168671860e+00 0.0 -4.068101708740e-01 -8.568300844650e-01 5*0.0 3.855892775530e-01 7.604926847860e-01 0.0 3.838737169390e-01 7.805677615690e-01
|
||||
5*0.0 -9.379927668940e-02 -1.060536056670e+00 0.0 -4.270581221180e-01 -8.530570611460e-01 5*0.0 3.654015122400e-01 7.515390428140e-01 0.0 3.918386756240e-01 7.754130982290e-01
|
||||
5*0.0 -6.253406369200e-02 -1.038207063730e+00 0.0 -4.464273609200e-01 -8.496707804430e-01 5*0.0 3.453348293390e-01 7.425349126350e-01 0.0 3.995926153450e-01 7.702572210040e-01
|
||||
5*0.0 -3.253552454570e-02 -1.016189795960e+00 0.0 -4.649119153000e-01 -8.465928648800e-01 5*0.0 3.254072868830e-01 7.334865530970e-01 0.0 4.071287551360e-01 7.650959825190e-01
|
||||
5*0.0 -3.784090418120e-03 -9.944912516310e-01 0.0 -4.825095541530e-01 -8.437525274170e-01 5*0.0 3.056360839930e-01 7.244000620070e-01 0.0 4.144408653010e-01 7.599253869540e-01
|
||||
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5*0.0 1.012845499460e-01 -2.210653075820e-02 0.0 -9.178577167380e-02 -6.838925895840e-02 5*0.0 -1.164226751210e-01 2.201307034550e-02 0.0 8.153029714090e-02 5.316591222320e-02
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5*0.0 9.930960226700e-02 -2.148520525330e-02 0.0 -8.963214993900e-02 -6.661843358690e-02 5*0.0 -1.138893055510e-01 2.131679610860e-02 0.0 7.943598615210e-02 5.167189714170e-02
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||||
5*0.0 9.736432051240e-02 -2.088005522390e-02 0.0 -8.752103851340e-02 -6.488768096410e-02 5*0.0 -1.113924304600e-01 2.064025763370e-02 0.0 7.738463755110e-02 5.021360714600e-02
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||||
5*0.0 9.544845712750e-02 -2.029068837990e-02 0.0 -8.545181955100e-02 -6.319626717400e-02 5*0.0 -1.089321562050e-01 1.998297372780e-02 0.0 7.537573463160e-02 4.879040606800e-02
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5*0.0 9.356176170180e-02 -1.971672149160e-02 0.0 -8.342387767030e-02 -6.154346639190e-02 5*0.0 -1.065085603110e-01 1.934447236320e-02 0.0 7.340875379180e-02 4.740166169240e-02
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5*0.0 9.170398121410e-02 -1.915778022860e-02 0.0 -8.143660030830e-02 -5.992856102860e-02 5*0.0 -1.041216925210e-01 1.872429058830e-02 0.0 7.148316517040e-02 4.604674602520e-02
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5*0.0 8.987486022090e-02 -1.861349892290e-02 0.0 -7.948937782660e-02 -5.835084179790e-02 5*0.0 -1.017715758510e-01 1.812197444030e-02 0.0 6.959843326640e-02 4.472503554210e-02
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5*0.0 8.807414107430e-02 -1.808352038860e-02 0.0 -7.758160382060e-02 -5.680960781640e-02 5*0.0 -9.945820760820e-02 1.753707885120e-02 0.0 6.775401753290e-02 4.343591142940e-02
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5*0.0 8.630156400960e-02 -1.756749568530e-02 0.0 -7.571267528510e-02 -5.530416669020e-02 5*0.0 -9.718156040210e-02 1.696916755440e-02 0.0 6.594937296300e-02 4.217875980950e-02
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5*0.0 8.455686747900e-02 -1.706508398220e-02 0.0 -7.388199283520e-02 -5.383383454100e-02 5*0.0 -9.494158312720e-02 1.641781298740e-02 0.0 6.418395064320e-02 4.095297195550e-02
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5*0.0 8.283978815990e-02 -1.657595232470e-02 0.0 -7.208896083880e-02 -5.239793611500e-02 5*0.0 -9.273820193710e-02 1.588259619390e-02 0.0 6.245719830080e-02 3.975794449210e-02
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5*0.0 8.115006120730e-02 -1.609977547430e-02 0.0 -7.033298763990e-02 -5.099580479450e-02 5*0.0 -9.057132118770e-02 1.536310672220e-02 0.0 6.076856082300e-02 3.859307958680e-02
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5*0.0 7.948742033220e-02 -1.563623570840e-02 0.0 -6.861348574430e-02 -4.962678266400e-02 5*0.0 -8.844082437420e-02 1.485894252570e-02 0.0 5.911748076480e-02 3.745778512680e-02
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5*0.0 7.785159805430e-02 -1.518502268930e-02 0.0 -6.692987187780e-02 -4.829022051390e-02 5*0.0 -8.634657503560e-02 1.436970985680e-02 0.0 5.750339883260e-02 3.635147488740e-02
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5*0.0 7.624232571630e-02 -1.474583324660e-02 0.0 -6.528156723350e-02 -4.698547791280e-02 5*0.0 -8.428841764790e-02 1.389502316390e-02 0.0 5.592575435510e-02 3.527356868840e-02
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5*0.0 7.465933368570e-02 -1.431837123710e-02 0.0 -6.366799754020e-02 -4.571192315070e-02 5*0.0 -8.226617849790e-02 1.343450498500e-02 0.0 5.438398573560e-02 3.422349253850e-02
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5*0.0 7.310235146480e-02 -1.390234737960e-02 0.0 -6.208859323010e-02 -4.446893334920e-02 5*0.0 -8.027966652790e-02 1.298778584030e-02 0.0 5.287753088470e-02 3.320067877340e-02
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5*0.0 7.157110781280e-02 -1.349747910070e-02 0.0 -6.054278953280e-02 -4.325589435910e-02 5*0.0 -7.832867417560e-02 1.255450412530e-02 0.0 5.140582764020e-02 3.220456617840e-02
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5*0.0 7.006533085850e-02 -1.310349037270e-02 0.0 -5.903002660760e-02 -4.207220085020e-02 5*0.0 -7.641297818250e-02 1.213430600110e-02 0.0 4.996831416620e-02 3.123460010550e-02
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5*0.0 6.858474822920e-02 -1.272011157450e-02 0.0 -5.754974961440e-02 -4.091725624030e-02 5*0.0 -7.453234038270e-02 1.172684528440e-02 0.0 4.856442933890e-02 3.029023258040e-02
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5*0.0 6.712908710100e-02 -1.234707933460e-02 0.0 -5.610140886490e-02 -3.979047273840e-02 5*0.0 -7.268650848490e-02 1.133178333940e-02 0.0 4.719361311680e-02 2.937092239750e-02
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5*0.0 6.569807438170e-02 -1.198413639910e-02 0.0 -5.468445983760e-02 -3.869127127110e-02 5*0.0 -7.087521681980e-02 1.094878896600e-02 0.0 4.585530689270e-02 2.847613520990e-02
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5*0.0 6.429143674180e-02 -1.163103148200e-02 0.0 -5.329836332370e-02 -3.761908149310e-02 5*0.0 -6.909818707350e-02 1.057753828850e-02 0.0 4.454895383110e-02 2.760534360890e-02
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5*0.0 6.290890072750e-02 -1.128751913880e-02 0.0 -5.194258550620e-02 -3.657334174350e-02 5*0.0 -6.735512900790e-02 1.021771464590e-02 0.0 4.327399919450e-02 2.675802719410e-02
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5*0.0 6.155019287280e-02 -1.095335962990e-02 0.0 -5.061659796050e-02 -3.555349903680e-02 5*0.0 -6.564574115090e-02 9.869008478950e-03 0.0 4.202989064820e-02 2.593367263820e-02
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5*0.0 6.021503977300e-02 -1.062831879150e-02 0.0 -4.931987778680e-02 -3.455900898910e-02 5*0.0 -6.396971147840e-02 9.531117220230e-03 0.0 4.081607855730e-02 2.513177374110e-02
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5*0.0 5.890316820440e-02 -1.031216792060e-02 0.0 -4.805190760370e-02 -3.358933580840e-02 5*0.0 -6.232671806500e-02 9.203745181210e-03 0.0 3.963201626510e-02 2.435183148000e-02
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5*0.0 5.761430507010e-02 -1.000468362040e-02 0.0 -4.681217572650e-02 -3.264395224700e-02 5*0.0 -6.071642973160e-02 8.886603442650e-03 0.0 3.847716036050e-02 2.359335404790e-02
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5*0.0 5.634817768340e-02 -9.705647720810e-03 0.0 -4.560017604830e-02 -3.172233953060e-02 5*0.0 -5.913850666290e-02 8.579409742350e-03 0.0 3.735097093120e-02 2.285585688850e-02
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5*0.0 5.510451364560e-02 -9.414847129960e-03 0.0 -4.441540824330e-02 -3.082398733830e-02 5*0.0 -5.759260100370e-02 8.281888363520e-03 0.0 3.625291180290e-02 2.213886272410e-02
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5*0.0 5.388304109860e-02 -9.132073738750e-03 0.0 -4.325737763140e-02 -2.994839371260e-02 5*0.0 -5.607835745790e-02 7.993770027220e-03 0.0 3.518245076770e-02 2.144190157460e-02
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5*0.0 5.268348866580e-02 -8.857124297870e-03 0.0 -4.212559539200e-02 -2.909506504490e-02 5*0.0 -5.459541383820e-02 7.714791777740e-03 0.0 3.413905979840e-02 2.076451077420e-02
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5*0.0 5.150558554300e-02 -8.589800312400e-03 0.0 -4.101957844430e-02 -2.826351596640e-02 5*0.0 -5.314340162480e-02 7.444696876720e-03 0.0 3.312221525100e-02 2.010623497630e-02
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5*0.0 5.034906161430e-02 -8.329907939220e-03 0.0 -3.993884958370e-02 -2.745326931840e-02 5*0.0 -5.172194649740e-02 7.183234692330e-03 0.0 3.213139805740e-02 1.946662616060e-02
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5*0.0 4.921364748980e-02 -8.077257876260e-03 0.0 -3.888293741950e-02 -2.666385609050e-02 5*0.0 -5.033066884450e-02 6.930160590030e-03 0.0 3.116609390420e-02 1.884524362700e-02
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5*0.0 4.809907454850e-02 -7.831665263590e-03 0.0 -3.785137643700e-02 -2.589481532610e-02 5*0.0 -4.896918426350e-02 6.685235825660e-03 0.0 3.022579340040e-02 1.824165398970e-02
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5*0.0 4.700507504050e-02 -7.592949588060e-03 0.0 -3.684370699650e-02 -2.514569407660e-02 5*0.0 -4.763710404340e-02 6.448227438330e-03 0.0 2.930999223650e-02 1.765543116250e-02
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5*0.0 4.593138209590e-02 -7.360934578900e-03 0.0 -3.585947534440e-02 -2.441604730550e-02 5*0.0 -4.633403562370e-02 6.218908142040e-03 0.0 2.841819133110e-02 1.708615634210e-02
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5*0.0 4.487772981080e-02 -7.135448119140e-03 0.0 -3.489823361690e-02 -2.370543784070e-02 5*0.0 -4.505958304580e-02 5.997056221410e-03 0.0 2.754989696910e-02 1.653341798530e-02
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5*0.0 4.384385332310e-02 -6.916322150500e-03 0.0 -3.395953983350e-02 -2.301343628200e-02 5*0.0 -4.381334738690e-02 5.782455426810e-03 0.0 2.670462092690e-02 1.599681178140e-02
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5*0.0 4.282948879780e-02 -6.703392581390e-03 0.0 -3.304295793300e-02 -2.233962093160e-02 5*0.0 -4.259492717420e-02 5.574894869410e-03 0.0 2.588188059190e-02 1.547594062200e-02
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5*0.0 4.183437356260e-02 -6.496499204780e-03 0.0 -3.214805771090e-02 -2.168357771110e-02 5*0.0 -4.140391878650e-02 5.374168918490e-03 0.0 2.508119907020e-02 1.497041456570e-02
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5*0.0 4.085824609240e-02 -6.295485601300e-03 0.0 -3.127441486610e-02 -2.104490008130e-02 5*0.0 -4.023991684000e-02 5.180077098430e-03 0.0 2.430210528610e-02 1.447985079890e-02
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5*0.0 3.990084609130e-02 -6.100199065050e-03 0.0 -3.042161095740e-02 -2.042318896280e-02 5*0.0 -3.910251456310e-02 4.992423989040e-03 0.0 2.354413407210e-02 1.400387359370e-02
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5*0.0 3.896191455470e-02 -5.910490519210e-03 0.0 -2.958923339670e-02 -1.981805265010e-02 5*0.0 -3.799130414990e-02 4.811019123770e-03 0.0 2.280682625140e-02 1.354211426200e-02
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5*0.0 3.804119373280e-02 -5.726214425150e-03 0.0 -2.877687546960e-02 -1.922910675760e-02 5*0.0 -3.690587710860e-02 4.635676890830e-03 0.0 2.208972871600e-02 1.309421110500e-02
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5*0.0 3.713842731990e-02 -5.547228727280e-03 0.0 -2.798413624580e-02 -1.865597406880e-02 5*0.0 -3.584582457840e-02 4.466216435300e-03 0.0 2.139239448420e-02 1.265980936340e-02
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5*0.0 3.625336038320e-02 -5.373394748310e-03 0.0 -2.721062062710e-02 -1.809828451160e-02 5*0.0 -3.481073766300e-02 4.302461562600e-03 0.0 2.071438276740e-02 1.223856116100e-02
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5*0.0 3.538573935600e-02 -5.204577118910e-03 0.0 -2.645593930190e-02 -1.755567507790e-02 5*0.0 -3.380020771220e-02 4.144240640650e-03 0.0 2.005525901700e-02 1.183012544680e-02
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5*0.0 3.453531225890e-02 -5.040643721920e-03 0.0 -2.571970872720e-02 -1.702778967010e-02 5*0.0 -3.281382664250e-02 3.991386508400e-03 0.0 1.941459497640e-02 1.143416793330e-02
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5*0.0 3.370182862760e-02 -4.881465624940e-03 0.0 -2.500155106810e-02 -1.651427908270e-02 5*0.0 -3.185118717490e-02 3.843736378840e-03 0.0 1.879196870510e-02 1.105036103690e-02
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5*0.0 3.288503953700e-02 -4.726916964340e-03 0.0 -2.430109420340e-02 -1.601480087820e-02 5*0.0 -3.091188312420e-02 3.701131747910e-03 0.0 1.818696462090e-02 1.067838381070e-02
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5*0.0 3.208469767200e-02 -4.576874931060e-03 0.0 -2.361797171050e-02 -1.552901931960e-02 5*0.0 -2.999550964920e-02 3.563418303880e-03 0.0 1.759917352130e-02 1.031792187700e-02
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5*0.0 3.130055733140e-02 -4.431219658320e-03 0.0 -2.295182280180e-02 -1.505660527470e-02 5*0.0 -2.910166349210e-02 3.430445836830e-03 0.0 1.702819260450e-02 9.968667359980e-03
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5*0.0 3.053237454460e-02 -4.289834195910e-03 0.0 -2.230229228220e-02 -1.459723611240e-02 5*0.0 -2.822994319630e-02 3.302068148660e-03 0.0 1.647362547690e-02 9.630318812500e-03
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5*0.0 2.977990697890e-02 -4.152604412520e-03 0.0 -2.166903057920e-02 -1.415059564220e-02 5*0.0 -2.737994934020e-02 3.178142967570e-03 0.0 1.593508216550e-02 9.302581145690e-03
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5*0.0 2.904291410060e-02 -4.019418952620e-03 0.0 -2.105169360230e-02 -1.371637401630e-02 5*0.0 -2.655128473450e-02 3.058531860160e-03 0.0 1.541217911890e-02 8.985165553410e-03
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5*0.0 2.832115713490e-02 -3.890169173570e-03 0.0 -2.044994282200e-02 -1.329426761210e-02 5*0.0 -2.574355462300e-02 2.943100147310e-03 0.0 1.490453920330e-02 8.677789437150e-03
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5*0.0 2.761439908000e-02 -3.764749066030e-03 0.0 -1.986344512410e-02 -1.288397899330e-02 5*0.0 -2.495636686460e-02 2.831716819270e-03 0.0 1.441179169690e-02 8.380176328800e-03
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5*0.0 2.692240480040e-02 -3.643055222140e-03 0.0 -1.929187285130e-02 -1.248521678870e-02 5*0.0 -2.418933211550e-02 2.724254454380e-03 0.0 1.393357227560e-02 8.092055813150e-03
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5*0.0 2.624494100820e-02 -3.524986758930e-03 0.0 -1.873490372440e-02 -1.209769558930e-02 5*0.0 -2.344206398770e-02 2.620589136780e-03 0.0 1.346952299660e-02 7.813163448450e-03
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5*0.0 2.558177626580e-02 -3.410445262340e-03 0.0 -1.819222080250e-02 -1.172113593690e-02 5*0.0 -2.271417921340e-02 2.520600376810e-03 0.0 1.301929227730e-02 7.543240685320e-03
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5*0.0 2.493268115150e-02 -3.299334757460e-03 0.0 -1.766351240720e-02 -1.135526410990e-02 5*0.0 -2.200529778500e-02 2.424171031800e-03 0.0 1.258253487090e-02 7.282034787950e-03
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5*0.0 2.429742806550e-02 -3.191561606630e-03 0.0 -1.714847215660e-02 -1.099981217260e-02 5*0.0 -2.131504309840e-02 2.331187229380e-03 0.0 1.215891183630e-02 7.029298750430e-03
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5*0.0 2.367579145370e-02 -3.087034511130e-03 0.0 -1.664679885890e-02 -1.065451777920e-02 5*0.0 -2.064304208540e-02 2.241538290300e-03 0.0 1.174809050790e-02 6.784791214780e-03
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5*0.0 2.306754767720e-02 -2.985664405000e-03 0.0 -1.615819647340e-02 -1.031912415070e-02 5*0.0 -1.998892532790e-02 2.155116654500e-03 0.0 1.134974445560e-02 6.548276388460e-03
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5*0.0 2.189035436900e-02 -2.792049968690e-03 0.0 -1.521904578270e-02 -9.677039261490e-03 5*0.0 -1.873288585730e-02 1.991540203730e-03 0.0 1.058920341460e-02 6.098309019390e-03
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5*0.0 2.132096774900e-02 -2.699638381470e-03 0.0 -1.476793076680e-02 -9.369861380710e-03 5*0.0 -1.813024356270e-02 1.914185204560e-03 0.0 1.022638638770e-02 5.884411964290e-03
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5*0.0 2.076409988010e-02 -2.610049185470e-03 0.0 -1.432875311890e-02 -9.071610857320e-03 5*0.0 -1.754404654700e-02 1.839656999050e-03 0.0 9.874800466920e-03 5.677618427160e-03
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5*0.0 2.021953736260e-02 -2.523203879260e-03 0.0 -1.390124188020e-02 -8.782057352540e-03 5*0.0 -1.697394521140e-02 1.767862540230e-03 0.0 9.534149763270e-03 5.477719182790e-03
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5*0.0 1.968706896230e-02 -2.439025946240e-03 0.0 -1.348513092340e-02 -8.500975547480e-03 5*0.0 -1.641959417720e-02 1.698711476820e-03 0.0 9.204144346880e-03 5.284510067380e-03
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5*0.0 1.916648551580e-02 -2.357440787690e-03 0.0 -1.308015895070e-02 -8.228145082710e-03 5*0.0 -1.588065235440e-02 1.632116085920e-03 0.0 8.884500190100e-03 5.097791892610e-03
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5*0.0 3.528112261940e-03 -3.025100805740e-04 0.0 -2.011641934360e-03 -1.156009303980e-03 5*0.0 -1.831738170850e-03 1.734569440690e-04 0.0 1.072615190370e-03 6.818964631080e-04
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|
||||
5*0.0 4.171183751620e-05 -1.123502225770e-06 0.0 -9.148269129100e-06 2.088000054950e-05 5*0.0 -1.185441833230e-04 -7.524634488060e-07 0.0 8.712306954670e-06 -6.077396128110e-05
|
||||
5*0.0 4.142847759030e-05 -1.036371756090e-06 0.0 -8.865125069990e-06 2.096997115720e-05 5*0.0 -1.170111112170e-04 -9.912916463840e-07 0.0 7.954148008640e-06 -6.068901953630e-05
|
||||
5*0.0 4.114095189310e-05 -9.501771953900e-07 0.0 -8.585425295000e-06 2.105099778210e-05 5*0.0 -1.154708012140e-04 -1.226017193600e-06 0.0 7.207237517660e-06 -6.058552776120e-05
|
||||
5*0.0 4.084915878120e-05 -8.649219472170e-07 0.0 -8.309094130130e-06 2.112321935400e-05 5*0.0 -1.139238363670e-04 -1.456650998420e-06 0.0 6.471547047170e-06 -6.046384709060e-05
|
||||
5*0.0 4.055300875550e-05 -7.806086344970e-07 0.0 -8.036061409170e-06 2.118677310480e-05 5*0.0 -1.123707917990e-04 -1.683205036690e-06 0.0 5.747045565100e-06 -6.032433861320e-05
|
||||
5*0.0 4.025243071000e-05 -6.972409514200e-07 0.0 -7.766261535340e-06 2.124179625060e-05 5*0.0 -1.108122341720e-04 -1.905692384020e-06 0.0 5.033699465740e-06 -6.016736324870e-05
|
||||
5*0.0 3.994736480320e-05 -6.148217333850e-07 0.0 -7.499634321080e-06 2.128842449500e-05 5*0.0 -1.092487221610e-04 -2.124127073010e-06 0.0 4.331472622020e-06 -5.999328158050e-05
|
||||
5*0.0 3.963777127530e-05 -5.333545215210e-07 0.0 -7.236122876420e-06 2.132679340980e-05 5*0.0 -1.076808055340e-04 -2.338524197520e-06 0.0 3.640326386410e-06 -5.980245375500e-05
|
||||
5*0.0 3.932361805500e-05 -4.528425833260e-07 0.0 -6.975675008020e-06 2.135703696120e-05 5*0.0 -1.061090250790e-04 -2.548899851110e-06 0.0 2.960219680170e-06 -5.959523930250e-05
|
||||
5*0.0 3.900488832610e-05 -3.732895875980e-07 0.0 -6.718242169470e-06 2.137929016170e-05 5*0.0 -1.045339133370e-04 -2.755270984620e-06 0.0 2.291108981870e-06 -5.937199706170e-05
|
||||
5*0.0 3.868157596610e-05 -2.946986017750e-07 0.0 -6.463779787720e-06 2.139368516800e-05 5*0.0 -1.029559931610e-04 -2.957655543900e-06 0.0 1.632948420580e-06 -5.913308500680e-05
|
||||
501
tests/DFTB/nonscc/nh
Normal file
501
tests/DFTB/nonscc/nh
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, -0.002922 +0.793616 -1.926479 +1.935016 -0.887891 +0.156709 2*0.0 3.22 3.00, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
8*0.0 5.505505732540e-01 8.202571897290e-01 8*0.0 -3.345223382240e-01 -8.241390117840e-01
|
||||
8*0.0 5.657389904380e-01 8.285512308650e-01 8*0.0 -3.484480990540e-01 -8.217563850410e-01
|
||||
8*0.0 5.798133223020e-01 8.360479450190e-01 8*0.0 -3.620096256420e-01 -8.192095355190e-01
|
||||
8*0.0 5.928059500770e-01 8.427448045740e-01 8*0.0 -3.751984690870e-01 -8.164963645080e-01
|
||||
8*0.0 6.047505301050e-01 8.486445801120e-01 8*0.0 -3.880069895450e-01 -8.136151819660e-01
|
||||
8*0.0 6.156816353210e-01 8.537546333680e-01 8*0.0 -4.004283393840e-01 -8.105647007780e-01
|
||||
8*0.0 6.256342978170e-01 8.580861448740e-01 8*0.0 -4.124564454620e-01 -8.073440295740e-01
|
||||
8*0.0 6.346440399280e-01 8.616536174900e-01 8*0.0 -4.240859902800e-01 -8.039526638430e-01
|
||||
8*0.0 6.427465506590e-01 8.644742777730e-01 8*0.0 -4.353123922160e-01 -8.003904757940e-01
|
||||
8*0.0 6.499774182100e-01 8.665676095250e-01 8*0.0 -4.461317850330e-01 -7.966577028420e-01
|
||||
8*0.0 6.563720297270e-01 8.679549388140e-01 8*0.0 -4.565409967230e-01 -7.927549354480e-01
|
||||
8*0.0 6.619655577540e-01 8.686590730570e-01 8*0.0 -4.665375279620e-01 -7.886831040480e-01
|
||||
8*0.0 6.667925732260e-01 8.687039686550e-01 8*0.0 -4.761195300210e-01 -7.844434654450e-01
|
||||
8*0.0 6.708871953230e-01 8.681144549990e-01 8*0.0 -4.852857824980e-01 -7.800375887890e-01
|
||||
8*0.0 6.742828216050e-01 8.669158743250e-01 8*0.0 -4.940356708430e-01 -7.754673410070e-01
|
||||
8*0.0 6.770122244830e-01 8.651340459020e-01 8*0.0 -5.023691637200e-01 -7.707348723940e-01
|
||||
8*0.0 6.791073592610e-01 8.627949404580e-01 8*0.0 -5.102867903310e-01 -7.658426017630e-01
|
||||
8*0.0 6.805993396440e-01 8.599245369120e-01 8*0.0 -5.177896177820e-01 -7.607932015570e-01
|
||||
8*0.0 6.815184075100e-01 8.565486840130e-01 8*0.0 -5.248792284770e-01 -7.555895830950e-01
|
||||
8*0.0 6.818939465600e-01 8.526929961620e-01 8*0.0 -5.315576976460e-01 -7.502348818180e-01
|
||||
8*0.0 6.817543681100e-01 8.483826983640e-01 8*0.0 -5.378275710200e-01 -7.447324426700e-01
|
||||
8*0.0 6.811272589110e-01 8.436426295900e-01 8*0.0 -5.436918428060e-01 -7.390858056590e-01
|
||||
8*0.0 6.800391884450e-01 8.384970672050e-01 8*0.0 -5.491539336930e-01 -7.332986916080e-01
|
||||
8*0.0 6.785156789850e-01 8.329696650920e-01 8*0.0 -5.542176692750e-01 -7.273749881500e-01
|
||||
8*0.0 6.765815389800e-01 8.270835530520e-01 8*0.0 -5.588872589050e-01 -7.213187360610e-01
|
||||
8*0.0 6.742604020500e-01 8.208610816240e-01 8*0.0 -5.631672744650e-01 -7.151341157740e-01
|
||||
8*0.0 6.715751908370e-01 8.143240078540e-01 8*0.0 -5.670626299560e-01 -7.088254343350e-01
|
||||
8*0.0 6.685477626880e-01 8.074933156180e-01 8*0.0 -5.705785610770e-01 -7.023971126010e-01
|
||||
8*0.0 6.651992148190e-01 8.003893130190e-01 8*0.0 -5.737206054400e-01 -6.958536728510e-01
|
||||
8*0.0 6.615495872760e-01 7.930314798690e-01 8*0.0 -5.764945829220e-01 -6.891997267200e-01
|
||||
8*0.0 6.576183452500e-01 7.854387237910e-01 8*0.0 -5.789065768430e-01 -6.824399635520e-01
|
||||
8*0.0 6.534237481170e-01 7.776290116340e-01 8*0.0 -5.809629149460e-01 -6.755791390700e-01
|
||||
8*0.0 6.489836066280e-01 7.696197770540e-01 8*0.0 -5.826701515350e-01 -6.686220645110e-01
|
||||
8*0.0 6.443147730610e-01 7.614276469590e-01 8*0.0 -5.840350494520e-01 -6.615735960900e-01
|
||||
8*0.0 6.394333085310e-01 7.530685364210e-01 8*0.0 -5.850645627430e-01 -6.544386248600e-01
|
||||
8*0.0 6.343546296170e-01 7.445577123740e-01 8*0.0 -5.857658199050e-01 -6.472220670310e-01
|
||||
8*0.0 6.290934396460e-01 7.359097747480e-01 8*0.0 -5.861461073610e-01 -6.399288545980e-01
|
||||
8*0.0 6.236636880440e-01 7.271386290080e-01 8*0.0 -5.862128535000e-01 -6.325639264150e-01
|
||||
8*0.0 6.180786976840e-01 7.182575615610e-01 8*0.0 -5.859736132070e-01 -6.251322196400e-01
|
||||
8*0.0 6.123512100610e-01 7.092792813620e-01 8*0.0 -5.854360528730e-01 -6.176386615930e-01
|
||||
8*0.0 6.064932896150e-01 7.002158582490e-01 8*0.0 -5.846079357650e-01 -6.100881619520e-01
|
||||
8*0.0 6.005164644240e-01 6.910788172370e-01 8*0.0 -5.834971080350e-01 -6.024856053780e-01
|
||||
8*0.0 5.944316586620e-01 6.818791098670e-01 8*0.0 -5.821114850420e-01 -5.948358444790e-01
|
||||
8*0.0 5.882492731210e-01 6.726271527790e-01 8*0.0 -5.804590382720e-01 -5.871436931650e-01
|
||||
8*0.0 5.819792296030e-01 6.633328783610e-01 8*0.0 -5.785477826650e-01 -5.794139203680e-01
|
||||
8*0.0 5.756308581510e-01 6.540056609160e-01 8*0.0 -5.763857644000e-01 -5.716512440790e-01
|
||||
8*0.0 5.692131186110e-01 6.446544717260e-01 8*0.0 -5.739810492220e-01 -5.638603258040e-01
|
||||
8*0.0 5.627344643750e-01 6.352877862150e-01 8*0.0 -5.713417111520e-01 -5.560457653060e-01
|
||||
8*0.0 5.562028930820e-01 6.259136324770e-01 8*0.0 -5.684758216810e-01 -5.482120956960e-01
|
||||
8*0.0 5.496260330440e-01 6.165396467450e-01 8*0.0 -5.653914394620e-01 -5.403637788740e-01
|
||||
8*0.0 5.430110643350e-01 6.071730264570e-01 8*0.0 -5.620966003890e-01 -5.325052012620e-01
|
||||
8*0.0 5.363648008560e-01 5.978206338730e-01 8*0.0 -5.585993082090e-01 -5.246406700210e-01
|
||||
8*0.0 5.296937624470e-01 5.884888921340e-01 8*0.0 -5.549075253840e-01 -5.167744088060e-01
|
||||
8*0.0 5.230038766320e-01 5.791838371470e-01 8*0.0 -5.510291647650e-01 -5.089105552850e-01
|
||||
8*0.0 5.163011684080e-01 5.699113635540e-01 8*0.0 -5.469720811680e-01 -5.010531575850e-01
|
||||
8*0.0 5.095909097400e-01 5.606768046780e-01 8*0.0 -5.427440638730e-01 -4.932061715160e-01
|
||||
8*0.0 5.028782556000e-01 5.514852823290e-01 8*0.0 -5.383528293320e-01 -4.853734582040e-01
|
||||
8*0.0 4.961680518930e-01 5.423416096210e-01 8*0.0 -5.338060140880e-01 -4.775587817460e-01
|
||||
8*0.0 4.894648899940e-01 5.332503193300e-01 8*0.0 -5.291111684380e-01 -4.697658072670e-01
|
||||
8*0.0 4.827730385210e-01 5.242156431030e-01 8*0.0 -5.242757502700e-01 -4.619980991270e-01
|
||||
8*0.0 4.760965975110e-01 5.152416007480e-01 8*0.0 -5.193071194280e-01 -4.542591194630e-01
|
||||
8*0.0 4.694392740670e-01 5.063318575910e-01 8*0.0 -5.142125322720e-01 -4.465522268050e-01
|
||||
8*0.0 4.628047140750e-01 4.974899498740e-01 8*0.0 -5.089991367140e-01 -4.388806751130e-01
|
||||
8*0.0 4.561961581880e-01 4.887190742410e-01 8*0.0 -5.036739677160e-01 -4.312476128250e-01
|
||||
8*0.0 4.496168579800e-01 4.800223182890e-01 8*0.0 -4.982439428370e-01 -4.236560822480e-01
|
||||
8*0.0 4.430696393510e-01 4.714024447030e-01 8*0.0 -4.927158584830e-01 -4.161090190510e-01
|
||||
8*0.0 4.365572873760e-01 4.628620893140e-01 8*0.0 -4.870963861660e-01 -4.086092520040e-01
|
||||
8*0.0 4.300823703030e-01 4.544036766920e-01 8*0.0 -4.813920693210e-01 -4.011595028650e-01
|
||||
8*0.0 4.236471621720e-01 4.460293756500e-01 8*0.0 -4.756093203260e-01 -3.937623864040e-01
|
||||
8*0.0 4.172539955290e-01 4.377413089220e-01 8*0.0 -4.697544177580e-01 -3.864204106860e-01
|
||||
8*0.0 4.109048390970e-01 4.295412970150e-01 8*0.0 -4.638335041220e-01 -3.791359773600e-01
|
||||
8*0.0 4.046016030810e-01 4.214310615020e-01 8*0.0 -4.578525837020e-01 -3.719113822310e-01
|
||||
8*0.0 3.983460992950e-01 4.134121921720e-01 8*0.0 -4.518175207450e-01 -3.647488158960e-01
|
||||
8*0.0 3.921398713440e-01 4.054860531180e-01 8*0.0 -4.457340379600e-01 -3.576503644960e-01
|
||||
8*0.0 3.859844480880e-01 3.976539246910e-01 8*0.0 -4.396077151290e-01 -3.506180106560e-01
|
||||
8*0.0 3.798811898920e-01 3.899169322770e-01 8*0.0 -4.334439881370e-01 -3.436536344730e-01
|
||||
8*0.0 3.738313636290e-01 3.822760783810e-01 8*0.0 -4.272481480710e-01 -3.367590146400e-01
|
||||
8*0.0 3.678360886570e-01 3.747322301410e-01 8*0.0 -4.210253407320e-01 -3.299358296940e-01
|
||||
8*0.0 3.618964318860e-01 3.672861530060e-01 8*0.0 -4.147805661190e-01 -3.231856593030e-01
|
||||
8*0.0 3.560133004830e-01 3.599384734250e-01 8*0.0 -4.085186783860e-01 -3.165099856860e-01
|
||||
8*0.0 3.501875636200e-01 3.526897408910e-01 8*0.0 -4.022443857770e-01 -3.099101951070e-01
|
||||
8*0.0 3.444199591850e-01 3.455403771230e-01 8*0.0 -3.959622508940e-01 -3.033875794290e-01
|
||||
8*0.0 3.387111814390e-01 3.384907312910e-01 8*0.0 -3.896766910630e-01 -2.969433377510e-01
|
||||
8*0.0 3.330618088660e-01 3.315410344420e-01 8*0.0 -3.833919789200e-01 -2.905785780970e-01
|
||||
8*0.0 3.274723796600e-01 3.246914562350e-01 8*0.0 -3.771122431210e-01 -2.842943191840e-01
|
||||
8*0.0 3.219433205040e-01 3.179420538810e-01 8*0.0 -3.708414692510e-01 -2.780914922130e-01
|
||||
8*0.0 3.164750479200e-01 3.112928374560e-01 8*0.0 -3.645835008320e-01 -2.719709427180e-01
|
||||
8*0.0 3.110678571300e-01 3.047437169940e-01 8*0.0 -3.583420404900e-01 -2.659334325300e-01
|
||||
8*0.0 3.057220353620e-01 2.982945498090e-01 8*0.0 -3.521206512780e-01 -2.599796416080e-01
|
||||
8*0.0 3.004377707380e-01 2.919451046900e-01 8*0.0 -3.459227580800e-01 -2.541101700650e-01
|
||||
8*0.0 2.952152342250e-01 2.856951091010e-01 8*0.0 -3.397516491500e-01 -2.483255401740e-01
|
||||
8*0.0 2.900545398650e-01 2.795442232220e-01 8*0.0 -3.336104777530e-01 -2.426261983530e-01
|
||||
8*0.0 2.849557465650e-01 2.734920397520e-01 8*0.0 -3.275022639300e-01 -2.370125172450e-01
|
||||
8*0.0 2.799188894020e-01 2.675381303850e-01 8*0.0 -3.214298962690e-01 -2.314847977090e-01
|
||||
8*0.0 2.749439120660e-01 2.616819615540e-01 8*0.0 -3.153961339340e-01 -2.260432709940e-01
|
||||
8*0.0 2.700308105050e-01 2.559230097710e-01 8*0.0 -3.094036085980e-01 -2.206881007070e-01
|
||||
8*0.0 2.651794578710e-01 2.502606739390e-01 8*0.0 -3.034548265030e-01 -2.154193849520e-01
|
||||
8*0.0 2.603897692020e-01 2.446943248710e-01 8*0.0 -2.975521706970e-01 -2.102371584070e-01
|
||||
8*0.0 2.556615648330e-01 2.392232856820e-01 8*0.0 -2.916979031470e-01 -2.051413944040e-01
|
||||
8*0.0 2.509946871750e-01 2.338468540370e-01 8*0.0 -2.858941670310e-01 -2.001320069950e-01
|
||||
8*0.0 2.463888960480e-01 2.285642757520e-01 8*0.0 -2.801429890630e-01 -1.952088530490e-01
|
||||
8*0.0 2.418440029340e-01 2.233747933180e-01 8*0.0 -2.744462818420e-01 -1.903717342630e-01
|
||||
8*0.0 2.373597143730e-01 2.182775820700e-01 8*0.0 -2.688058462610e-01 -1.856203992820e-01
|
||||
8*0.0 2.329358039920e-01 2.132718337120e-01 8*0.0 -2.632233739180e-01 -1.809545456540e-01
|
||||
8*0.0 2.285719427780e-01 2.083566793450e-01 8*0.0 -2.577004495550e-01 -1.763738219090e-01
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||||
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|
||||
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||||
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||||
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|
||||
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|
||||
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|
||||
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||||
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|
||||
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|
||||
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|
||||
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||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
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||||
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||||
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|
||||
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|
||||
8*0.0 1.904201521280e-06 -8.163185383470e-06 8*0.0 5.059474393730e-05 2.753375874860e-05
|
||||
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|
||||
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|
||||
8*0.0 5.323076524780e-07 -5.762006198410e-06 8*0.0 5.294583602750e-05 2.163885082830e-05
|
||||
8*0.0 1.042064201710e-07 -4.951725624010e-06 8*0.0 5.360565943480e-05 1.967556338450e-05
|
||||
8*0.0 -3.098285454630e-07 -4.137606902080e-06 8*0.0 5.420546908050e-05 1.771526796910e-05
|
||||
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|
||||
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|
||||
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|
||||
8*0.0 -1.830867840270e-06 -8.553524608240e-07 8*0.0 5.602811373030e-05 9.928591091910e-06
|
||||
8*0.0 -2.178611346020e-06 -3.137198442390e-08 8*0.0 5.634558668720e-05 8.001452763200e-06
|
||||
8*0.0 -2.513795711520e-06 7.928100573300e-07 8*0.0 5.661019266340e-05 6.084391348420e-06
|
||||
8*0.0 -2.836642412950e-06 1.616637331400e-06 8*0.0 5.682314601940e-05 4.178490173780e-06
|
||||
8*0.0 -3.147335284140e-06 2.439561307990e-06 8*0.0 5.698566451810e-05 2.284804495670e-06
|
||||
8*0.0 -3.446060565620e-06 3.261049867360e-06 8*0.0 5.709896970900e-05 4.043614607140e-07
|
||||
8*0.0 -3.733008866190e-06 4.080580916330e-06 8*0.0 5.716428494050e-05 -1.461839924370e-06
|
||||
8*0.0 -4.008344885330e-06 4.897646537730e-06 8*0.0 5.718283549140e-05 -3.312828814040e-06
|
||||
8*0.0 -4.272229962330e-06 5.711748746770e-06 8*0.0 5.715584709470e-05 -5.147662498570e-06
|
||||
8*0.0 -4.524825339930e-06 6.522403964530e-06 8*0.0 5.708454533150e-05 -6.965426371280e-06
|
||||
8*0.0 -4.766292527720e-06 7.329138047330e-06 8*0.0 5.697015479840e-05 -8.765233900570e-06
|
||||
8*0.0 -4.996772667360e-06 8.131489480810e-06 8*0.0 5.681389809810e-05 -1.054622656400e-05
|
||||
8*0.0 -5.216415020520e-06 8.929008728340e-06 8*0.0 5.661699588250e-05 -1.230757375260e-05
|
||||
8*0.0 -5.425357806430e-06 9.721257202540e-06 8*0.0 5.638066480920e-05 -1.404847271400e-05
|
||||
8*0.0 -5.623747935640e-06 1.050780724140e-05 8*0.0 5.610611797150e-05 -1.576814843710e-05
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||||
8*0.0 -5.811725786260e-06 1.128824249360e-05 8*0.0 5.579456328360e-05 -1.746585347070e-05
|
||||
8*0.0 -5.989413739010e-06 1.206215756580e-05 8*0.0 5.544720372060e-05 -1.914086788060e-05
|
||||
8*0.0 -6.156961047960e-06 1.282915910090e-05 8*0.0 5.506523557750e-05 -2.079249904210e-05
|
||||
8*0.0 -6.314484507990e-06 1.358886272480e-05 8*0.0 5.464984884820e-05 -2.242008146500e-05
|
||||
8*0.0 -6.462127818710e-06 1.434089637980e-05 8*0.0 5.420222568080e-05 -2.402297665060e-05
|
||||
8*0.0 -6.600031560330e-06 1.508489913640e-05 8*0.0 5.372354027720e-05 -2.560057286850e-05
|
||||
8*0.0 -6.728308455770e-06 1.582051797410e-05 8*0.0 5.321495844790e-05 -2.715228499790e-05
|
||||
8*0.0 -6.847106329250e-06 1.654741387510e-05 8*0.0 5.267763646410e-05 -2.867755425600e-05
|
||||
8*0.0 -6.956551174450e-06 1.726525510260e-05 8*0.0 5.211272071810e-05 -3.017584799380e-05
|
||||
8*0.0 -7.056777525370e-06 1.797372252770e-05 8*0.0 5.152134775360e-05 -3.164665947940e-05
|
||||
8*0.0 -7.147924864670e-06 1.867250727880e-05 8*0.0 5.090464277180e-05 -3.308950760160e-05
|
||||
8*0.0 -7.230126870800e-06 1.936130819910e-05 8*0.0 5.026371976070e-05 -3.450393664290e-05
|
||||
8*0.0 -7.303512709550e-06 2.003983722680e-05 8*0.0 4.959968114020e-05 -3.588951602590e-05
|
||||
8*0.0 -7.368232839900e-06 2.070781533620e-05 8*0.0 4.891361680900e-05 -3.724583996160e-05
|
||||
8*0.0 -7.424417328170e-06 2.136497318260e-05 8*0.0 4.820660389100e-05 -3.857252723630e-05
|
||||
8*0.0 -7.472217387670e-06 2.201105114390e-05 8*0.0 4.747970670710e-05 -3.986922088520e-05
|
||||
8*0.0 -7.511760453790e-06 2.264580095320e-05 8*0.0 4.673397575800e-05 -4.113558786290e-05
|
||||
8*0.0 -7.543201390790e-06 2.326898214500e-05 8*0.0 4.597044788600e-05 -4.237131877320e-05
|
||||
8*0.0 -7.566689194280e-06 2.388036546030e-05 8*0.0 4.519014538040e-05 -4.357612750280e-05
|
||||
8*0.0 -7.582361485320e-06 2.447973072810e-05 8*0.0 4.439407643180e-05 -4.474975092880e-05
|
||||
8*0.0 -7.590370914630e-06 2.506686704070e-05 8*0.0 4.358323385560e-05 -4.589194855240e-05
|
||||
8*0.0 -7.590868986850e-06 2.564157402990e-05 8*0.0 4.275859549060e-05 -4.700250218780e-05
|
||||
8*0.0 -7.584012730180e-06 2.620365946350e-05 8*0.0 4.192112387370e-05 -4.808121557030e-05
|
||||
8*0.0 -7.569954283590e-06 2.675294166550e-05 8*0.0 4.107176542720e-05 -4.912791407230e-05
|
||||
8*0.0 -7.548843006930e-06 2.728924694540e-05 8*0.0 4.021145100050e-05 -5.014244424690e-05
|
||||
8*0.0 -7.520839270190e-06 2.781241193290e-05 8*0.0 3.934109501590e-05 -5.112467357800e-05
|
||||
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|
||||
8*0.0 -7.444801781800e-06 2.881871078110e-05 8*0.0 3.757383409270e-05 -5.299180161970e-05
|
||||
8*0.0 -7.397088483460e-06 2.930156218000e-05 8*0.0 3.667867548520e-05 -5.387653626000e-05
|
||||
8*0.0 -7.343128974890e-06 2.977070801230e-05 8*0.0 3.577696755730e-05 -5.472864116120e-05
|
||||
8*0.0 -7.283084959250e-06 3.022602915120e-05 8*0.0 3.486954109000e-05 -5.554808252410e-05
|
||||
8*0.0 -7.217124697860e-06 3.066741527850e-05 8*0.0 3.395720969850e-05 -5.633484517860e-05
|
||||
8*0.0 -7.145413613190e-06 3.109476383600e-05 8*0.0 3.304076977210e-05 -5.708893215910e-05
|
||||
8*0.0 -7.068119439100e-06 3.150798212430e-05 8*0.0 3.212100040640e-05 -5.781036434990e-05
|
||||
8*0.0 -6.985411552590e-06 3.190698470320e-05 8*0.0 3.119866302790e-05 -5.849918006430e-05
|
||||
8*0.0 -6.897457069970e-06 3.229169452720e-05 8*0.0 3.027450193180e-05 -5.915543468090e-05
|
||||
8*0.0 -6.804431668570e-06 3.266204366840e-05 8*0.0 2.934924342780e-05 -5.977920019730e-05
|
||||
8*0.0 -6.706498647800e-06 3.301797097150e-05 8*0.0 2.842359652970e-05 -6.037056491000e-05
|
||||
8*0.0 -6.603831885780e-06 3.335942408650e-05 8*0.0 2.749825265360e-05 -6.092963296800e-05
|
||||
8*0.0 -6.496600574450e-06 3.368635822560e-05 8*0.0 2.657388554840e-05 -6.145652399000e-05
|
||||
8*0.0 -6.384984278730e-06 3.399873650970e-05 8*0.0 2.565115118240e-05 -6.195137266940e-05
|
||||
8*0.0 -6.269146287260e-06 3.429652967740e-05 8*0.0 2.473068835410e-05 -6.241432838000e-05
|
||||
8*0.0 -6.149263121470e-06 3.457971587280e-05 8*0.0 2.381311796240e-05 -6.284555477610e-05
|
||||
8*0.0 -6.025503836120e-06 3.484828106060e-05 8*0.0 2.289904353030e-05 -6.324522942500e-05
|
||||
8*0.0 -5.898040579620e-06 3.510221760750e-05 8*0.0 2.198905109290e-05 -6.361354337780e-05
|
||||
8*0.0 -5.767051373810e-06 3.534152687260e-05 8*0.0 2.108370929210e-05 -6.395070080770e-05
|
||||
8*0.0 -5.632700202640e-06 3.556621491790e-05 8*0.0 2.018356957280e-05 -6.425691859050e-05
|
||||
8*0.0 -5.495154934290e-06 3.577629653400e-05 8*0.0 1.928916592330e-05 -6.453242595360e-05
|
||||
8*0.0 -5.354590941490e-06 3.597179270220e-05 8*0.0 1.840101536000e-05 -6.477746405930e-05
|
||||
8*0.0 -5.211177515120e-06 3.615273094910e-05 8*0.0 1.751961787520e-05 -6.499228563240e-05
|
||||
8*0.0 -5.065080649540e-06 3.631914604260e-05 8*0.0 1.664545646410e-05 -6.517715459120e-05
|
||||
8*0.0 -4.916470809860e-06 3.647107891720e-05 8*0.0 1.577899729000e-05 -6.533234562900e-05
|
||||
8*0.0 -4.765510974090e-06 3.660857669680e-05 8*0.0 1.492068997110e-05 -6.545814389420e-05
|
||||
8*0.0 -4.612369312730e-06 3.673169256070e-05 8*0.0 1.407096752250e-05 -6.555484457230e-05
|
||||
8*0.0 -4.457207189520e-06 3.684048642550e-05 8*0.0 1.323024649670e-05 -6.562275253130e-05
|
||||
8*0.0 -4.300192254480e-06 3.693502390630e-05 8*0.0 1.239892735970e-05 -6.566218195650e-05
|
||||
8*0.0 -4.141480026760e-06 3.701537579210e-05 8*0.0 1.157739444700e-05 -6.567345596960e-05
|
||||
8*0.0 -3.981234951740e-06 3.708161989420e-05 8*0.0 1.076601619930e-05 -6.565690630510e-05
|
||||
8*0.0 -3.819611945960e-06 3.713383817700e-05 8*0.0 9.965145243180e-06 -6.561287291420e-05
|
||||
8*0.0 -3.656771707460e-06 3.717211964800e-05 8*0.0 9.175118716030e-06 -6.554170364020e-05
|
||||
8*0.0 -3.492865630890e-06 3.719655716210e-05 8*0.0 8.396258385960e-06 -6.544375383240e-05
|
||||
8*0.0 -3.328047820470e-06 3.720724947650e-05 8*0.0 7.628870844110e-06 -6.531938605880e-05
|
||||
8*0.0 -3.162471511100e-06 3.720430041330e-05 8*0.0 6.873247709440e-06 -6.516896970990e-05
|
||||
502
tests/DFTB/nonscc/nn
Normal file
502
tests/DFTB/nonscc/nn
Normal file
|
|
@ -0,0 +1,502 @@
|
|||
0.02, 500
|
||||
0.0 -0.2587 -0.6680, 0.0 3*0.0 0.0 3.0 2.0 T F
|
||||
14.007, 0.299411 0.992782 -4.897327 10.180328 -10.924530 6.528399 -2.037269 0.262021 3.03 3.2 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -1.267640737280e+00 -1.900369223240e+00 0.0 3.428231490060e-01 -1.510498527210e+00 5*0.0 7.964618807510e-01 9.289552589470e-01 0.0 1.484573992790e-01 9.083979187290e-01
|
||||
5*0.0 -1.195947120650e+00 -1.868530108510e+00 0.0 3.113168144670e-01 -1.453430014200e+00 5*0.0 7.780461258830e-01 9.222095935950e-01 0.0 1.578146931630e-01 9.021137787840e-01
|
||||
5*0.0 -1.124914227940e+00 -1.836340873380e+00 0.0 2.780628108310e-01 -1.401993039290e+00 5*0.0 7.591441462930e-01 9.152288800620e-01 0.0 1.672883479090e-01 8.958618324990e-01
|
||||
5*0.0 -1.054741859510e+00 -1.803880340260e+00 0.0 2.433982805080e-01 -1.355799633090e+00 5*0.0 7.397979486290e-01 9.080235518420e-01 0.0 1.768603280870e-01 8.896506179860e-01
|
||||
5*0.0 -9.856073639930e-01 -1.771222046920e+00 0.0 2.076342102540e-01 -1.314461285210e+00 5*0.0 7.200489128260e-01 9.006040411450e-01 0.0 1.865121366050e-01 8.834864544430e-01
|
||||
5*0.0 -9.176671161150e-01 -1.738434434150e+00 0.0 1.710560832640e-01 -1.277594827740e+00 5*0.0 6.999376807860e-01 8.929807518100e-01 0.0 1.962249839470e-01 8.773736789850e-01
|
||||
5*0.0 -8.510579431020e-01 -1.705581048020e+00 0.0 1.339247800180e-01 -1.244826855870e+00 5*0.0 6.795040589050e-01 8.851640344620e-01 0.0 2.059799424720e-01 8.713148732860e-01
|
||||
5*0.0 -7.858984981930e-01 -1.672720747070e+00 0.0 9.647764492390e-02 -1.215796974370e+00 5*0.0 6.587869336120e-01 8.771641638130e-01 0.0 2.157580861080e-01 8.653110784390e-01
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||||
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5*0.0 8.040602818520e-02 -1.569460071280e-02 0.0 -6.669959018150e-02 -4.838110942690e-02 5*0.0 -8.447107268020e-02 1.420538252340e-02 0.0 5.499056472290e-02 3.350534008370e-02
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5*0.0 7.866540069420e-02 -1.522549861670e-02 0.0 -6.500431096300e-02 -4.700126414860e-02 5*0.0 -8.243959742150e-02 1.372430985050e-02 0.0 5.344933588110e-02 3.247040409530e-02
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5*0.0 7.695565059120e-02 -1.476945220670e-02 0.0 -6.334632055350e-02 -4.565679940230e-02 5*0.0 -8.044360789290e-02 1.325782473590e-02 0.0 5.194353322960e-02 3.146349681500e-02
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5*0.0 7.527638268850e-02 -1.432612076740e-02 0.0 -6.172495748680e-02 -4.434693295540e-02 5*0.0 -7.848290609790e-02 1.280554107860e-02 0.0 5.047259850460e-02 3.048400743830e-02
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5*0.0 7.362720344450e-02 -1.389517211290e-02 0.0 -6.013956764860e-02 -4.307089606530e-02 5*0.0 -7.655727830510e-02 1.236708127390e-02 0.0 4.903597348260e-02 2.953133339800e-02
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5*0.0 7.041754559520e-02 -1.306913578920e-02 0.0 -5.707412835230e-02 -4.061730280650e-02 5*0.0 -7.281031596090e-02 1.153016450180e-02 0.0 4.626342226080e-02 2.770406269740e-02
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5*0.0 6.885628900830e-02 -1.267342450110e-02 0.0 -5.559280798560e-02 -3.943827544030e-02 5*0.0 -7.098848244820e-02 1.113099362850e-02 0.0 4.492638336300e-02 2.682830273460e-02
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5*0.0 6.732356528550e-02 -1.228884835850e-02 0.0 -5.414491912910e-02 -3.829013540800e-02 5*0.0 -6.920072652510e-02 1.074421853410e-02 0.0 4.362142949460e-02 2.597703160990e-02
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5*0.0 6.581899050420e-02 -1.191511472610e-02 0.0 -5.272984527870e-02 -3.717217975920e-02 5*0.0 -6.744676749230e-02 1.036950213060e-02 0.0 4.234800834820e-02 2.514968890840e-02
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5*0.0 6.289276293940e-02 -1.119904090200e-02 0.0 -4.999571480730e-02 -3.502407367480e-02 5*0.0 -6.403906196790e-02 9.654935469640e-03 0.0 3.989356634400e-02 2.356458994200e-02
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5*0.0 6.147035339710e-02 -1.085615135120e-02 0.0 -4.867546347100e-02 -3.399258080730e-02 5*0.0 -6.238470076780e-02 9.314449071320e-03 0.0 3.871145312430e-02 2.280575573680e-02
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5*0.0 6.007457939900e-02 -1.052300524070e-02 0.0 -4.738563774140e-02 -3.298858719070e-02 5*0.0 -6.076290834250e-02 8.984748823930e-03 0.0 3.755868846820e-02 2.206869409970e-02
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5*0.0 5.870506850240e-02 -1.019934479670e-02 0.0 -4.612565950360e-02 -3.201145254600e-02 5*0.0 -5.917335458700e-02 8.665534899380e-03 0.0 3.643473401810e-02 2.135288758050e-02
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5*0.0 5.736145071650e-02 -9.884918704460e-03 0.0 -4.489495834020e-02 -3.106054870920e-02 5*0.0 -5.761570139810e-02 8.356514536250e-03 0.0 3.533905500510e-02 2.065782733540e-02
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5*0.0 3.909341698870e-02 -5.927625876240e-03 0.0 -2.874961345500e-02 -1.894563541140e-02 5*0.0 -3.673314610450e-02 4.585082647810e-03 0.0 2.123433380960e-02 1.197610226240e-02
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5*0.0 2.462598865730e-02 -3.251252541280e-03 0.0 -1.689536030620e-02 -1.057882186770e-02 5*0.0 -2.093806332950e-02 2.230726593610e-03 0.0 1.141436843290e-02 6.285579249790e-03
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5*0.0 2.397743124930e-02 -3.141920225280e-03 0.0 -1.638787171910e-02 -1.023354836620e-02 5*0.0 -2.025615598440e-02 2.140145981350e-03 0.0 1.101097986850e-02 6.059702051530e-03
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5*0.0 2.334337020410e-02 -3.035986929810e-03 0.0 -1.589398787510e-02 -9.898718010880e-03 5*0.0 -1.959233113940e-02 2.052940852040e-03 0.0 1.062018752780e-02 5.841557645850e-03
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5*0.0 2.272354621940e-02 -2.933355947730e-03 0.0 -1.541339606380e-02 -9.574047568940e-03 5*0.0 -1.894622898560e-02 1.969000856290e-03 0.0 1.024166874990e-02 5.630913260950e-03
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5*0.0 2.211770314570e-02 -2.833933100060e-03 0.0 -1.494578937320e-02 -9.259260452620e-03 5*0.0 -1.831749334850e-02 1.888218779600e-03 0.0 9.875106950590e-03 5.427541876630e-03
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5*0.0 2.152558798280e-02 -2.737626673790e-03 0.0 -1.449086661770e-02 -8.954086591210e-03 5*0.0 -1.770577178250e-02 1.810490466740e-03 0.0 9.520191579770e-03 5.231222123920e-03
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5*0.0 2.038154507980e-02 -2.554008202930e-03 0.0 -1.361789637430e-02 -8.371530197650e-03 5*0.0 -1.653198024700e-02 1.663793364240e-03 0.0 8.844087812140e-03 4.858879692580e-03
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5*0.0 1.982912701420e-02 -2.466524527190e-03 0.0 -1.319927450380e-02 -8.093639003190e-03 5*0.0 -1.596922478760e-02 1.594630899720e-03 0.0 8.522308056490e-03 4.682441632080e-03
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5*0.0 1.876229524290e-02 -2.299796054540e-03 0.0 -1.239636221120e-02 -7.563404363920e-03 5*0.0 -1.489031095510e-02 1.464214844480e-03 0.0 7.909858244900e-03 4.348032911300e-03
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5*0.0 1.824740989380e-02 -2.220392866060e-03 0.0 -1.201152982810e-02 -7.310588081430e-03 5*0.0 -1.437349150890e-02 1.402784000440e-03 0.0 7.618631670790e-03 4.189678091350e-03
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5*0.0 1.774456896300e-02 -2.143528272530e-03 0.0 -1.163742740040e-02 -7.065666806400e-03 5*0.0 -1.387132997580e-02 1.343757435240e-03 0.0 7.337042451350e-03 4.036975188660e-03
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5*0.0 1.725354434600e-02 -2.069128235840e-03 0.0 -1.127379697140e-02 -6.828418261670e-03 5*0.0 -1.338350636250e-02 1.287052912520e-03 0.0 7.064826455940e-03 3.889744473350e-03
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5*0.0 1.677411100460e-02 -1.997120691360e-03 0.0 -1.092038566590e-02 -6.598625622880e-03 5*0.0 -1.290970497040e-02 1.232590636670e-03 0.0 6.801725095090e-03 3.747810982300e-03
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5*0.0 1.630604695400e-02 -1.927435498260e-03 0.0 -1.057694561760e-02 -6.376077408240e-03 5*0.0 -1.244961443080e-02 1.180293190710e-03 0.0 6.547485256970e-03 3.611004424080e-03
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5*0.0 1.584913325020e-02 -1.860004391700e-03 0.0 -1.024323389870e-02 -6.160567369850e-03 5*0.0 -1.200292773470e-02 1.130085475490e-03 0.0 6.301859242590e-03 3.479159084730e-03
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5*0.0 1.454315008320e-02 -1.670580129530e-03 0.0 -9.298112038870e-03 -5.554280095600e-03 5*0.0 -1.074028652440e-02 9.912832480570e-04 0.0 5.614266951420e-03 3.111799947750e-03
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5*0.0 1.412870863150e-02 -1.611518656140e-03 0.0 -9.000980661670e-03 -5.364961232630e-03 5*0.0 -1.034423311700e-02 9.487277621280e-04 0.0 5.400725167440e-03 2.998230644410e-03
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5*0.0 1.372436790440e-02 -1.554396510410e-03 0.0 -8.712434585540e-03 -5.181724108730e-03 5*0.0 -9.960114653220e-03 9.079192370460e-04 0.0 5.194637559730e-03 2.888859415830e-03
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5*0.0 1.332992688870e-02 -1.499155751400e-03 0.0 -8.432259037140e-03 -5.004391678170e-03 5*0.0 -9.587650673440e-03 8.687952727170e-04 0.0 4.995787486500e-03 2.783546084310e-03
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5*0.0 1.294518750060e-02 -1.445740011660e-03 0.0 -8.160243692000e-03 -4.832791409640e-03 5*0.0 -9.226565170500e-03 8.312953954500e-04 0.0 4.803963237760e-03 2.682154415790e-03
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5*0.0 1.256995457250e-02 -1.394094459460e-03 0.0 -7.896182606340e-03 -4.666755190760e-03 5*0.0 -8.876586588240e-03 7.953610067390e-04 0.0 4.618957963890e-03 2.584552033430e-03
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5*0.0 1.220403582890e-02 -1.344165758710e-03 0.0 -7.639874149470e-03 -4.506119232100e-03 5*0.0 -8.537447816580e-03 7.609353331740e-04 0.0 4.440569603730e-03 2.490610332170e-03
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5*0.0 1.184724187180e-02 -1.295902032980e-03 0.0 -7.391120934940e-03 -4.350723974170e-03 5*0.0 -8.208886183480e-03 7.279633774600e-04 0.0 4.268600812330e-03 2.400204394440e-03
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5*0.0 1.149938615980e-02 -1.249252828220e-03 0.0 -7.149729754940e-03 -4.200413995800e-03 5*0.0 -7.890643444010e-03 6.963918705280e-04 0.0 4.102858888450e-03 2.313212906970e-03
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5*0.0 1.116028498860e-02 -1.204169077630e-03 0.0 -6.915511512580e-03 -4.055037923030e-03 5*0.0 -7.582465766620e-03 6.661692247190e-04 0.0 3.943155701790e-03 2.229518078730e-03
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5*0.0 1.082975747090e-02 -1.160603065820e-03 0.0 -6.688281155800e-03 -3.914448341160e-03 5*0.0 -7.284103716720e-03 6.372454880230e-04 0.0 3.789307620140e-03 2.149005560080e-03
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5*0.0 1.050762551490e-02 -1.118508395660e-03 0.0 -6.467857612100e-03 -3.778501706350e-03 5*0.0 -6.995312237740e-03 6.095722993640e-04 0.0 3.641135436460e-03 2.071564362990e-03
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5*0.0 1.019371380580e-02 -1.077839955060e-03 0.0 -6.254063722740e-03 -3.647058260370e-03 5*0.0 -6.715850629790e-03 5.831028449010e-04 0.0 3.498464295930e-03 1.997086782490e-03
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5*0.0 9.887849780590e-03 -1.038553883650e-03 0.0 -6.046726178740e-03 -3.519981945740e-03 5*0.0 -6.445482526060e-03 5.577918153410e-04 0.0 3.361123623030e-03 1.925468319270e-03
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5*0.0 9.589863607950e-03 -1.000607541780e-03 0.0 -5.845675456580e-03 -3.397140323040e-03 5*0.0 -6.183975867030e-03 5.335953642350e-04 0.0 3.228947048760e-03 1.856607603490e-03
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5*0.0 9.299588169170e-03 -9.639594794340e-04 0.0 -5.650745754420e-03 -3.278404488840e-03 5*0.0 -5.931102872710e-03 5.104710672500e-04 0.0 3.101772338030e-03 1.790406319800e-03
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5*0.0 9.016859030310e-03 -9.285694060840e-04 0.0 -5.461774929220e-03 -3.163648996120e-03 5*0.0 -5.686640012900e-03 4.883778823980e-04 0.0 2.979441317200e-03 1.726769133480e-03
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5*0.0 8.741514422030e-03 -8.943981607250e-04 0.0 -5.278604434390e-03 -3.052751775180e-03 5*0.0 -5.450367975660e-03 4.672761111950e-04 0.0 2.861799801970e-03 1.665603617860e-03
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5*0.0 8.473395216930e-03 -8.614076835300e-04 0.0 -5.101079257840e-03 -2.945594056440e-03 5*0.0 -5.222071634100e-03 4.471273607480e-04 0.0 2.748697525470e-03 1.606820182910e-03
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5*0.0 8.212344904380e-03 -8.295609875830e-04 0.0 -4.929047861220e-03 -2.842060294440e-03 5*0.0 -5.001540011570e-03 4.278945067500e-04 0.0 2.639988066780e-03 1.550332005050e-03
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5*0.0 7.958209568980e-03 -7.988221312860e-04 0.0 -4.762362118430e-03 -2.742038093290e-03 5*0.0 -4.788566245300e-03 4.095416573530e-04 0.0 2.535528779810e-03 1.496054958110e-03
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5*0.0 7.710837864490e-03 -7.691561916600e-04 0.0 -4.600877256090e-03 -2.645418133560e-03 5*0.0 -4.582947548720e-03 3.920341179210e-04 0.0 2.435180722600e-03 1.443907545580e-03
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5*0.0 7.470080989830e-03 -7.405292377780e-04 0.0 -4.444451794450e-03 -2.552094100320e-03 5*0.0 -4.384485172410e-03 3.753383566410e-04 0.0 2.338808587070e-03 1.393810833990e-03
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5*0.0 7.235792666310e-03 -7.129083059240e-04 0.0 -4.292947488030e-03 -2.461962612640e-03 5*0.0 -4.192984363870e-03 3.594219709610e-04 0.0 2.246280629330e-03 1.345688387510e-03
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5*0.0 7.007829110120e-03 -6.862613737930e-04 0.0 -4.146229267770e-03 -2.374923154430e-03 5*0.0 -4.008254326130e-03 3.442536548680e-04 0.0 2.157468600460e-03 1.299466203750e-03
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5*0.0 6.786049009220e-03 -6.605573365580e-04 0.0 -4.004165183620e-03 -2.290878006520e-03 5*0.0 -3.830108175370e-03 3.298031669610e-04 0.0 2.072247677860e-03 1.255072650730e-03
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5*0.0 6.570313498690e-03 -6.357659831710e-04 0.0 -3.866626346860e-03 -2.209732180130e-03 5*0.0 -3.658362897490e-03 3.160412993200e-04 0.0 1.990496397220e-03 1.212438405050e-03
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5*0.0 6.360486133350e-03 -6.118579728270e-04 0.0 -3.733486875330e-03 -2.131393351410e-03 5*0.0 -3.492839303860e-03 3.029398471570e-04 0.0 1.912096585090e-03 1.171496391240e-03
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5*0.0 6.156432863870e-03 -5.888048123610e-04 0.0 -3.604623836270e-03 -2.055771797570e-03 5*0.0 -3.333361986250e-03 2.904715792190e-04 0.0 1.836933292040e-03 1.132181722260e-03
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5*0.0 5.958022009940e-03 -5.665788341930e-04 0.0 -3.479917192610e-03 -1.982780333550e-03 5*0.0 -3.179759270980e-03 2.786102089410e-04 0.0 1.764894726630e-03 1.094431641160e-03
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5*0.0 5.765124236500e-03 -5.451531746990e-04 0.0 -3.359249747630e-03 -1.912334251210e-03 5*0.0 -3.031863172450e-03 2.673303663340e-04 0.0 1.695872189850e-03 1.058185463920e-03
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5*0.0 5.577612524160e-03 -5.245017530430e-04 0.0 -3.242507092830e-03 -1.844351258290e-03 5*0.0 -2.889509346060e-03 2.566075705790e-04 0.0 1.629760010480e-03 1.023384523410e-03
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5*0.0 5.395362147000e-03 -5.045992504060e-04 0.0 -3.129577552850e-03 -1.778751419440e-03 5*0.0 -2.752537040520e-03 2.464182033350e-04 0.0 1.566455481020e-03 9.899721144790e-04
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5*0.0 5.218250643730e-03 -4.854210907100e-04 0.0 -3.020352135610e-03 -1.715457098210e-03 5*0.0 -2.620789049780e-03 2.367394827190e-04 0.0 1.505858794450e-03 9.578934402180e-04
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5*0.0 5.046157792450e-03 -4.669434192890e-04 0.0 -2.914724478330e-03 -1.654392900200e-03 5*0.0 -2.494111664520e-03 2.275494379740e-04 0.0 1.447872981690e-03 9.270955592610e-04
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5*0.0 4.878965585500e-03 -4.491430859790e-04 0.0 -2.812590798270e-03 -1.595485617160e-03 5*0.0 -2.372354623180e-03 2.188268847800e-04 0.0 1.392403849870e-03 8.975273342460e-04
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5*0.0 4.716558202230e-03 -4.319976251950e-04 0.0 -2.713849841320e-03 -1.538664172910e-03 5*0.0 -2.255371062840e-03 2.105514012240e-04 0.0 1.339359921360e-03 8.691393813470e-04
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5*0.0 4.558821979150e-03 -4.154852372580e-04 0.0 -2.618402833730e-03 -1.483859569410e-03 5*0.0 -2.143017469720e-03 2.027033043860e-04 0.0 1.288652373600e-03 8.418840208900e-04
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5*0.0 4.405645390160e-03 -3.995847715250e-04 0.0 -2.526153431120e-03 -1.431004834480e-03 5*0.0 -2.035153629530e-03 1.952636275550e-04 0.0 1.240194979720e-03 8.157152290320e-04
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5*0.0 4.256919011450e-03 -3.842757076500e-04 0.0 -2.437007672500e-03 -1.380034970830e-03 5*0.0 -1.931642577630e-03 1.882140980380e-04 0.0 1.193904050020e-03 7.905885905010e-04
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5*0.0 3.101595656980e-03 -2.700129316920e-04 0.0 -1.759975163840e-03 -9.963154655860e-04 5*0.0 -1.174863693290e-03 1.396266818800e-04 0.0 8.621507886230e-04 6.047557246930e-04
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5*0.0 2.682330007750e-03 -2.307882628950e-04 0.0 -1.521840864780e-03 -8.626721951960e-04 5*0.0 -9.253890538610e-04 1.248959250010e-04 0.0 7.554621017090e-04 5.412233627810e-04
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|
||||
5*0.0 9.800098423930e-05 -5.554587646310e-06 0.0 -4.352488820020e-05 3.456123458780e-05 5*0.0 -2.639601569210e-04 8.414476272200e-06 0.0 6.192670609680e-05 -7.493368488420e-05
|
||||
5*0.0 9.781845168570e-05 -5.334914320690e-06 0.0 -4.197705443800e-05 3.521723609640e-05 5*0.0 -2.619059198430e-04 7.838357890420e-06 0.0 5.873264163390e-05 -7.582804591950e-05
|
||||
5*0.0 9.761397160560e-05 -5.116581782170e-06 0.0 -4.043448342100e-05 3.585611356710e-05 5*0.0 -2.598015905310e-04 7.269086240570e-06 0.0 5.556193324300e-05 -7.669046625400e-05
|
||||
5*0.0 9.738751752220e-05 -4.899627956270e-06 0.0 -3.889745086600e-05 3.647794562120e-05 5*0.0 -2.576488135520e-04 6.706722060100e-06 0.0 5.241522076750e-05 -7.752116927650e-05
|
||||
5*0.0 9.713909287060e-05 -4.684090497420e-06 0.0 -3.736623467670e-05 3.708281237080e-05 5*0.0 -2.554492221070e-04 6.151322116300e-06 0.0 4.929312415030e-05 -7.832038499780e-05
|
||||
5*0.0 9.686872969410e-05 -4.470006651330e-06 0.0 -3.584111413950e-05 3.767079548580e-05 5*0.0 -2.532044372410e-04 5.602939272720e-06 0.0 4.619624350460e-05 -7.908834985330e-05
|
||||
5*0.0 9.657648770380e-05 -4.257413286700e-06 0.0 -3.432236947680e-05 3.824197831010e-05 5*0.0 -2.509160670850e-04 5.061622556570e-06 0.0 4.312515920140e-05 -7.982530650470e-05
|
||||
5*0.0 9.626245237780e-05 -4.046346828050e-06 0.0 -3.281028141540e-05 3.879644593480e-05 5*0.0 -2.485857061420e-04 4.527417226710e-06 0.0 4.008043196820e-05 -8.053150364110e-05
|
||||
5*0.0 9.592673393430e-05 -3.836843184670e-06 0.0 -3.130513065220e-05 3.933428529910e-05 5*0.0 -2.462149346170e-04 4.000364842400e-06 0.0 3.706260300250e-05 -8.120719578090e-05
|
||||
5*0.0 9.556946598510e-05 -3.628937696550e-06 0.0 -2.980719745580e-05 3.985558522480e-05 5*0.0 -2.438053177850e-04 3.480503332300e-06 0.0 3.407219409590e-05 -8.185264307250e-05
|
||||
5*0.0 9.519080427440e-05 -3.422665090580e-06 0.0 -2.831676117610e-05 4.036043650570e-05 5*0.0 -2.413584053960e-04 2.967867064130e-06 0.0 3.110970777080e-05 -8.246811109600e-05
|
||||
5*0.0 9.479092570550e-05 -3.218059481130e-06 0.0 -2.683409991700e-05 4.084893194810e-05 5*0.0 -2.388757311160e-04 2.462486914410e-06 0.0 2.817562742770e-05 -8.305387066580e-05
|
||||
5*0.0 9.437002714160e-05 -3.015154372690e-06 0.0 -2.535949013330e-05 4.132116641270e-05 5*0.0 -2.363588120090e-04 1.964390338780e-06 0.0 2.527041750220e-05 -8.361019763310e-05
|
||||
5*0.0 9.392832384380e-05 -2.813982404760e-06 0.0 -2.389320622210e-05 4.177723684780e-05 5*0.0 -2.338091480430e-04 1.473601442150e-06 0.0 2.239452363230e-05 -8.413737268910e-05
|
||||
5*0.0 9.346604939360e-05 -2.614575645180e-06 0.0 -2.243552024760e-05 4.221724232860e-05 5*0.0 -2.312282216410e-04 9.901410492080e-07 0.0 1.954837283430e-05 -8.463568117060e-05
|
||||
5*0.0 9.298345341220e-05 -2.416965336060e-06 0.0 -2.098670165250e-05 4.264128407990e-05 5*0.0 -2.286174972550e-04 5.140267747170e-07 0.0 1.673237368750e-05 -8.510541286540e-05
|
||||
5*0.0 9.248080128650e-05 -2.221181860540e-06 0.0 -1.954701687300e-05 4.304946548620e-05 5*0.0 -2.259784209730e-04 4.527309410000e-08 0.0 1.394691652640e-05 -8.554686181920e-05
|
||||
5*0.0 9.195837383780e-05 -2.027254949290e-06 0.0 -1.811672904910e-05 4.344189210080e-05 5*0.0 -2.233124201600e-04 -4.161085863820e-07 0.0 1.119237364130e-05 -8.596032614530e-05
|
||||
5*0.0 9.141646504930e-05 -1.835213391580e-06 0.0 -1.669609784530e-05 4.381867166180e-05 5*0.0 -2.206209031210e-04 -8.701098593970e-07 0.0 8.469099483890e-06 -8.634610783400e-05
|
||||
5*0.0 9.085538170750e-05 -1.645085116680e-06 0.0 -1.528537918360e-05 4.417991408290e-05 5*0.0 -2.179052587960e-04 -1.316725246630e-06 0.0 5.777430881920e-06 -8.670451256530e-05
|
||||
5*0.0 9.027544335260e-05 -1.456897262500e-06 0.0 -1.388482490860e-05 4.452573145790e-05 5*0.0 -2.151668564800e-04 -1.755952129000e-06 0.0 3.117687257530e-06 -8.703584952240e-05
|
||||
5*0.0 8.967697987400e-05 -1.270675995480e-06 0.0 -1.249468275720e-05 4.485623804140e-05 5*0.0 -2.124070455700e-04 -2.187790677370e-06 0.0 4.901708523910e-07 -8.734043120830e-05
|
||||
5*0.0 8.906033210700e-05 -1.086446659580e-06 0.0 -1.111519594710e-05 4.517155023830e-05 5*0.0 -2.096271553340e-04 -2.612243783480e-06 0.0 -2.104833042500e-06 -8.761857326320e-05
|
||||
5*0.0 8.842585035240e-05 -9.042336733870e-07 0.0 -9.746603140270e-06 4.547178658880e-05 5*0.0 -2.068284947040e-04 -3.029316991250e-06 0.0 -4.667055852200e-06 -8.787059428470e-05
|
||||
5*0.0 8.777389358750e-05 -7.240604765840e-07 0.0 -8.389138254820e-06 4.575706774710e-05 5*0.0 -2.040123520980e-04 -3.439018428710e-06 0.0 -7.196245479090e-06 -8.809681565070e-05
|
||||
5*0.0 8.710482947720e-05 -5.459497054260e-07 0.0 -7.043030179430e-06 4.602751644430e-05 5*0.0 -2.011799952530e-04 -3.841358740130e-06 0.0 -9.692166059940e-06 -8.829756134390e-05
|
||||
5*0.0 8.641903275610e-05 -3.699229963370e-07 0.0 -5.708502785590e-06 4.628325748210e-05 5*0.0 -1.983326710870e-04 -4.236351018980e-06 0.0 -1.215459771940e-05 -8.847315777880e-05
|
||||
5*0.0 8.571688475130e-05 -1.960010006920e-07 0.0 -4.385774726330e-06 4.652441767400e-05 5*0.0 -1.954716055830e-04 -4.624010741130e-06 0.0 -1.458333632110e-05 -8.862393363190e-05
|
||||
5*0.0 8.499877337600e-05 -2.420352118600e-08 0.0 -3.075059265130e-06 4.675112583180e-05 5*0.0 -1.925980036830e-04 -5.004355698820e-06 0.0 -1.697819321500e-05 -8.875021967300e-05
|
||||
5*0.0 8.426509177900e-05 1.454506194980e-07 0.0 -1.776564275130e-06 4.696351271700e-05 5*0.0 -1.897130492070e-04 -5.377405935360e-06 0.0 -1.933899498200e-05 -8.885234860120e-05
|
||||
501
tests/DFTB/nonscc/no
Normal file
501
tests/DFTB/nonscc/no
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, 0.140555 -0.109621 0.354657 -0.243372 0.086424 3*0.0 3.14, 4.0 9*0.0
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 1.360507400450e+00 2.159836307730e+00 0.0 -5.330368631130e-01 1.662829604530e+00 5*0.0 -7.716772472620e-01 -9.162931829970e-01 0.0 -1.214793108470e-01 -8.919631381200e-01
|
||||
5*0.0 1.272803205190e+00 2.119680229300e+00 0.0 -4.919552560480e-01 1.604635976700e+00 5*0.0 -7.518549353310e-01 -9.089367024500e-01 0.0 -1.303915030370e-01 -8.856563511500e-01
|
||||
5*0.0 1.186387197920e+00 2.079216469990e+00 0.0 -4.486935075760e-01 1.552985939110e+00 5*0.0 -7.315652762130e-01 -9.013371708500e-01 0.0 -1.394853292910e-01 -8.794036668780e-01
|
||||
5*0.0 1.101495201980e+00 2.038546415940e+00 0.0 -4.037256708710e-01 1.507333740320e+00 5*0.0 -7.108569594700e-01 -8.935070331900e-01 0.0 -1.487373598510e-01 -8.732106375770e-01
|
||||
5*0.0 1.018331405880e+00 1.997763713970e+00 0.0 -3.574854750020e-01 1.467145636030e+00 5*0.0 -6.897775986150e-01 -8.854586670660e-01 0.0 -1.581237239720e-01 -8.670804513490e-01
|
||||
5*0.0 9.370707740460e-01 1.956954602570e+00 0.0 -3.103674264760e-01 1.431906125610e+00 5*0.0 -6.683736118760e-01 -8.772043506560e-01 0.0 -1.676203340270e-01 -8.610142396700e-01
|
||||
5*0.0 8.578613760770e-01 1.916198257780e+00 0.0 -2.627282748710e-01 1.401122391130e+00 5*0.0 -6.466901214470e-01 -8.687562338760e-01 0.0 -1.772030856520e-01 -8.550113654570e-01
|
||||
5*0.0 7.808266179600e-01 1.875567146200e+00 0.0 -2.148887387430e-01 1.374327312610e+00 5*0.0 -6.247708697100e-01 -8.601263125290e-01 0.0 -1.868480351400e-01 -8.490696905920e-01
|
||||
5*0.0 7.060673585800e-01 1.835127380980e+00 0.0 -1.671354036250e-01 1.351081356020e+00 5*0.0 -6.026581510310e-01 -8.513264052830e-01 0.0 -1.965315553720e-01 -8.431858224240e-01
|
||||
5*0.0 6.336639150970e-01 1.794939073950e+00 0.0 -1.197227270240e-01 1.330973582310e+00 5*0.0 -5.803927577900e-01 -8.423681333100e-01 0.0 -2.062304716590e-01 -8.373553392820e-01
|
||||
5*0.0 5.636779425720e-01 1.755056683680e+00 0.0 -7.287509473900e-02 1.313621973070e+00 5*0.0 -5.580139393230e-01 -8.332629024190e-01 0.0 -2.159221789200e-01 -8.315729953270e-01
|
||||
5*0.0 4.961542021970e-01 1.715529353030e+00 0.0 -2.678888948070e-02 1.298673236000e+00 5*0.0 -5.355593725750e-01 -8.240218875130e-01 0.0 -2.255847415870e-01 -8.258329054330e-01
|
||||
5*0.0 4.311222075810e-01 1.676401238950e+00 0.0 1.836546362480e-02 1.285802210930e+00 5*0.0 -5.130651432140e-01 -8.146560192080e-01 0.0 -2.351969776580e-01 -8.201287109370e-01
|
||||
5*0.0 3.685977648560e-01 1.637711828540e+00 0.0 6.244149679540e-02 1.274711000650e+00 5*0.0 -4.905657361650e-01 -8.051759724620e-01 0.0 -2.447385282240e-01 -8.144537272250e-01
|
||||
5*0.0 3.085844065600e-01 1.599496244740e+00 0.0 1.053147619170e-01 1.265127873200e+00 5*0.0 -4.680940344610e-01 -7.955921570540e-01 0.0 -2.541899137990e-01 -8.088010742270e-01
|
||||
5*0.0 2.510747168330e-01 1.561785537680e+00 0.0 1.468809730260e-01 1.256806049240e+00 5*0.0 -4.456813254770e-01 -7.859147097720e-01 0.0 -2.635325786870e-01 -8.031637909460e-01
|
||||
5*0.0 1.960515698790e-01 1.524606963820e+00 0.0 1.870542319760e-01 1.249522370470e+00 5*0.0 -4.233573136090e-01 -7.761534881640e-01 0.0 -2.727489245870e-01 -7.975349351540e-01
|
||||
5*0.0 1.434892704620e-01 1.487984252020e+00 0.0 2.257653474610e-01 1.243075936250e+00 5*0.0 -4.011501386100e-01 -7.663180657290e-01 0.0 -2.818223345070e-01 -7.919076693960e-01
|
||||
5*0.0 9.335461252510e-02 1.451937855930e+00 0.0 2.629602492750e-01 1.237286706470e+00 5*0.0 -3.790863987550e-01 -7.564177284120e-01 0.0 -2.907371880810e-01 -7.862753344100e-01
|
||||
5*0.0 4.560785340230e-02 1.416485194300e+00 0.0 2.985984991000e-01 1.231994114430e+00 5*0.0 -3.571911781990e-01 -7.464614722840e-01 0.0 -2.994788692090e-01 -7.806315110540e-01
|
||||
5*0.0 2.036138414840e-04 1.381640878140e+00 0.0 3.326518970780e-01 1.227055697310e+00 5*0.0 -3.354880778350e-01 -7.364580023060e-01 0.0 -3.080337669460e-01 -7.749700717870e-01
|
||||
5*0.0 -4.290829546460e-02 1.347416925880e+00 0.0 3.651031841660e-01 1.222345759430e+00 5*0.0 -3.139992491120e-01 -7.264157320570e-01 0.0 -3.163892704490e-01 -7.692852226610e-01
|
||||
5*0.0 -8.378211624910e-02 1.313822966690e+00 0.0 3.959448368200e-01 1.217754080300e+00 5*0.0 -2.927454302640e-01 -7.163427843420e-01 0.0 -3.245337587550e-01 -7.635715368450e-01
|
||||
5*0.0 -1.224754480050e-01 1.280866432280e+00 0.0 4.251779506960e-01 1.213184675570e+00 5*0.0 -2.717459845090e-01 -7.062469925750e-01 0.0 -3.324565860790e-01 -7.578239804820e-01
|
||||
5*0.0 -1.590486153580e-01 1.248552737500e+00 0.0 4.528112120700e-01 1.208554609620e+00 5*0.0 -2.510189397540e-01 -6.961359028660e-01 0.0 -3.401480632580e-01 -7.520379316910e-01
|
||||
5*0.0 -1.935640919200e-01 1.216885450500e+00 0.0 4.788599497440e-01 1.203792870760e+00 5*0.0 -2.305810294950e-01 -6.860167767180e-01 0.0 -3.475994359320e-01 -7.462091936350e-01
|
||||
5*0.0 -2.260859779580e-01 1.185866452410e+00 0.0 5.033452667540e-01 1.198839305370e+00 5*0.0 -2.104477345190e-01 -6.758965942820e-01 0.0 -3.548028599690e-01 -7.403340021380e-01
|
||||
5*0.0 -2.566795290200e-01 1.155496087290e+00 0.0 5.262932457110e-01 1.193643614770e+00 5*0.0 -1.906333251540e-01 -6.657820580750e-01 0.0 -3.617513746180e-01 -7.344090287230e-01
|
||||
5*0.0 -2.854107324260e-01 1.125773302880e+00 0.0 5.477342241790e-01 1.188164412580e+00 5*0.0 -1.711509037960e-01 -6.556795971340e-01 0.0 -3.684388738000e-01 -7.284313795230e-01
|
||||
5*0.0 -3.123459267560e-01 1.096695781800e+00 0.0 5.677021357230e-01 1.182368343960e+00 5*0.0 -1.520124475020e-01 -6.455953715140e-01 0.0 -3.748600759290e-01 -7.223985907230e-01
|
||||
5*0.0 -3.375514641480e-01 1.068260064660e+00 0.0 5.862339130680e-01 1.176229263940e+00 5*0.0 -1.332288504290e-01 -6.355352771080e-01 0.0 -3.810104925960e-01 -7.163086209050e-01
|
||||
5*0.0 -3.610934112110e-01 1.040461664770e+00 0.0 6.033689478330e-01 1.169727472590e+00 5*0.0 -1.148099659890e-01 -6.255049507260e-01 0.0 -3.868863964190e-01 -7.101598409690e-01
|
||||
5*0.0 -3.830372848890e-01 1.013295174880e+00 0.0 6.191486052740e-01 1.162849009670e+00 5*0.0 -9.676464854380e-02 -6.155097753920e-01 0.0 -3.924847883260e-01 -7.039510217440e-01
|
||||
5*0.0 -4.034478229290e-01 9.867543666940e-01 0.0 6.336157873530e-01 1.155584998500e+00 5*0.0 -7.910079453430e-02 -6.055548858260e-01 0.0 -3.978033645170e-01 -6.976813199780e-01
|
||||
5*0.0 -4.223887844790e-01 9.608322832200e-01 0.0 6.468145428370e-01 1.147931045010e+00 5*0.0 -6.182538294740e-02 -5.956451740740e-01 0.0 -4.028404833050e-01 -6.913502628170e-01
|
||||
5*0.0 -4.399227790270e-01 9.355213243720e-01 0.0 6.587897195310e-01 1.139886684930e+00 5*0.0 -4.494451502190e-02 -5.857852952460e-01 0.0 -4.075951320140e-01 -6.849577311360e-01
|
||||
5*0.0 -4.561111216130e-01 9.108133262480e-01 0.0 6.695866557850e-01 1.131454876090e+00 5*0.0 -2.846345313320e-02 -5.759796733500e-01 0.0 -4.120668941160e-01 -6.785039420470e-01
|
||||
5*0.0 -4.710137119210e-01 8.866996344480e-01 0.0 6.792509082070e-01 1.122641535920e+00 5*0.0 -1.238665880230e-02 -5.662325071780e-01 0.0 -4.162559167110e-01 -6.719894307530e-01
|
||||
5*0.0 -4.846889345180e-01 8.631711715740e-01 0.0 6.878280119420e-01 1.113455122350e+00 5*0.0 3.282170220830e-03 -5.565477762370e-01 0.0 -4.201628785070e-01 -6.654150319730e-01
|
||||
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|
||||
5*0.0 -6.855657456470e-05 8.991550601240e-06 0.0 3.593957405130e-05 2.753784012360e-06 5*0.0 1.292370431070e-04 -1.570378904670e-05 0.0 -5.352523402440e-05 6.218062608800e-06
|
||||
5*0.0 -6.800171476860e-05 8.811018309990e-06 0.0 3.515735103820e-05 1.790162933010e-06 5*0.0 1.294143031930e-04 -1.536492845320e-05 0.0 -5.254608685050e-05 7.246865522860e-06
|
||||
5*0.0 -6.747990455070e-05 8.632581961630e-06 0.0 3.439571746020e-05 8.452936733190e-07 5*0.0 1.295570225050e-04 -1.502727466320e-05 0.0 -5.157184669870e-05 8.257379768140e-06
|
||||
5*0.0 -6.698873444200e-05 8.456152944130e-06 0.0 3.365368289680e-05 -8.113818534280e-08 5*0.0 1.296650786050e-04 -1.469089973970e-05 0.0 -5.060250824440e-05 9.249652927170e-06
|
||||
5*0.0 -6.652590392200e-05 8.281649120240e-06 0.0 3.293030616070e-05 -9.894322234190e-07 5*0.0 1.297384034080e-04 -1.435587529260e-05 0.0 -4.963807870660e-05 1.022373352610e-05
|
||||
5*0.0 -6.608921591950e-05 8.108993630910e-06 0.0 3.222469350230e-05 -1.879873989270e-06 5*0.0 1.297769803410e-04 -1.402227237100e-05 0.0 -4.867857683980e-05 1.117967126010e-05
|
||||
5*0.0 -6.567658127840e-05 7.938116141800e-06 0.0 3.153599592550e-05 -2.752735898640e-06 5*0.0 1.297808415590e-04 -1.369016134570e-05 0.0 -4.772403198380e-05 1.211751720030e-05
|
||||
5*0.0 -6.528600379310e-05 7.768951063660e-06 0.0 3.086340814190e-05 -3.608277934540e-06 5*0.0 1.297500653000e-04 -1.335961181460e-05 0.0 -4.677448315530e-05 1.303732398340e-05
|
||||
5*0.0 -6.491558684000e-05 7.601438081590e-06 0.0 3.020616597810e-05 -4.446748444620e-06 5*0.0 1.296847733010e-04 -1.303069250160e-05 0.0 -4.582997818720e-05 1.393914598240e-05
|
||||
5*0.0 -6.456352309080e-05 7.435521733830e-06 0.0 2.956354519780e-05 -5.268384862880e-06 5*0.0 1.295851283560e-04 -1.270347117490e-05 0.0 -4.489057291260e-05 1.482303946420e-05
|
||||
5*0.0 -6.422809504340e-05 7.271150996350e-06 0.0 2.893485908350e-05 -6.073414314360e-06 5*0.0 1.294513319570e-04 -1.237801456680e-05 0.0 -4.395633038930e-05 1.568906272920e-05
|
||||
5*0.0 -6.390767069260e-05 7.108279239270e-06 0.0 2.831945761090e-05 -6.862054365430e-06 5*0.0 1.292836219780e-04 -1.205438829540e-05 0.0 -4.302732016740e-05 1.653727623830e-05
|
||||
5*0.0 -6.360069931090e-05 6.946863671550e-06 0.0 2.771672544950e-05 -7.634513558110e-06 5*0.0 1.290822705210e-04 -1.173265680110e-05 0.0 -4.210361759240e-05 1.736774272490e-05
|
||||
5*0.0 -6.330571187910e-05 6.786865655380e-06 0.0 2.712608000370e-05 -8.390992033090e-06 5*0.0 1.288475818040e-04 -1.141288328410e-05 0.0 -4.118530315010e-05 1.818052729490e-05
|
||||
5*0.0 -6.302131330030e-05 6.628249876240e-06 0.0 2.654697092930e-05 -9.131682079240e-06 5*0.0 1.285798901170e-04 -1.109512964490e-05 0.0 -4.027246184220e-05 1.897569751340e-05
|
||||
5*0.0 -6.274618323010e-05 6.470984525230e-06 0.0 2.597887770400e-05 -9.856768658740e-06 5*0.0 1.282795579130e-04 -1.077945643740e-05 0.0 -3.936518260210e-05 1.975332348110e-05
|
||||
5*0.0 -6.247907303940e-05 6.315041008570e-06 0.0 2.542130895470e-05 -1.056642989400e-05 5*0.0 1.279469739140e-04 -1.046592281840e-05 0.0 -3.846355773850e-05 2.051347789810e-05
|
||||
5*0.0 -6.221880031720e-05 6.160393559800e-06 0.0 2.487380086840e-05 -1.126083758410e-05 5*0.0 1.275825513510e-04 -1.015458651050e-05 0.0 -3.756768241500e-05 2.125623611830e-05
|
||||
5*0.0 -6.196425082900e-05 6.007019488270e-06 0.0 2.433591570310e-05 -1.194015761620e-05 5*0.0 1.271867262220e-04 -9.845503760990e-06 0.0 -3.667765415440e-05 2.198167619390e-05
|
||||
5*0.0 -6.171437082310e-05 5.854898398340e-06 0.0 2.380724114510e-05 -1.260455040790e-05 5*0.0 1.267599556600e-04 -9.538729312480e-06 0.0 -3.579357238040e-05 2.268987891040e-05
|
||||
5*0.0 -6.146816943950e-05 5.704012674020e-06 0.0 2.328738861940e-05 -1.325417133720e-05 5*0.0 1.263027163610e-04 -9.234316372970e-06 0.0 -3.491553797730e-05 2.338092781290e-05
|
||||
5*0.0 -6.122471304420e-05 5.554346929840e-06 0.0 2.277599231620e-05 -1.388917108030e-05 5*0.0 1.258155030460e-04 -8.932316589550e-06 0.0 -3.404365288500e-05 2.405490922460e-05
|
||||
5*0.0 -6.098312485970e-05 5.405887823260e-06 0.0 2.227270824100e-05 -1.450969600880e-05 5*0.0 1.252988270490e-04 -8.632780030340e-06 0.0 -3.317801971390e-05 2.471191225730e-05
|
||||
5*0.0 -6.074258087740e-05 5.258624057920e-06 0.0 2.177721295810e-05 -1.511588853780e-05 5*0.0 1.247532148980e-04 -8.335755163640e-06 0.0 -3.231874138640e-05 2.535202881400e-05
|
||||
5*0.0 -6.050231044460e-05 5.112546342680e-06 0.0 2.128920268290e-05 -1.570788741740e-05 5*0.0 1.241792070090e-04 -8.041288845340e-06 0.0 -3.146592080130e-05 2.597535358680e-05
|
||||
5*0.0 -6.026159061330e-05 4.967646800370e-06 0.0 2.080839239700e-05 -1.628582806240e-05 5*0.0 1.235773563970e-04 -7.749426306390e-06 0.0 -3.061966051910e-05 2.658198404560e-05
|
||||
5*0.0 -6.001974803110e-05 4.823919575740e-06 0.0 2.033451487300e-05 -1.684984286050e-05 5*0.0 1.229482274910e-04 -7.460211146380e-06 0.0 -2.978006247260e-05 2.717202042350e-05
|
||||
5*0.0 -5.977615394940e-05 4.681360031640e-06 0.0 1.986731961150e-05 -1.740006138730e-05 5*0.0 1.222923949360e-04 -7.173685323810e-06 0.0 -2.894722769300e-05 2.774556569500e-05
|
||||
5*0.0 -5.953022354570e-05 4.539964918320e-06 0.0 1.940657223990e-05 -1.793661072580e-05 5*0.0 1.216104425170e-04 -6.889889156480e-06 0.0 -2.812125605820e-05 2.830272554960e-05
|
||||
5*0.0 -5.928141411990e-05 4.399732365270e-06 0.0 1.895205371210e-05 -1.845961565590e-05 5*0.0 1.209029620800e-04 -6.608861318580e-06 0.0 -2.730224605730e-05 2.884360836130e-05
|
||||
5*0.0 -5.902922376440e-05 4.260661629460e-06 0.0 1.850355911530e-05 -1.896919891500e-05 5*0.0 1.201705525340e-04 -6.330638844180e-06 0.0 -2.649029457620e-05 2.936832515180e-05
|
||||
5*0.0 -5.877318809560e-05 4.122752854910e-06 0.0 1.806089748920e-05 -1.946548139550e-05 5*0.0 1.194138188820e-04 -6.055257127670e-06 0.0 -2.568549669730e-05 2.987698955200e-05
|
||||
5*0.0 -5.851288023590e-05 3.986007418600e-06 0.0 1.762389061490e-05 -1.994858234270e-05 5*0.0 1.186333712930e-04 -5.782749931820e-06 0.0 -2.488794551590e-05 3.036971775780e-05
|
||||
5*0.0 -5.824790853740e-05 3.850427364430e-06 0.0 1.719237262340e-05 -2.041861954940e-05 5*0.0 1.178298242520e-04 -5.513149394940e-06 0.0 -2.409773197050e-05 3.084662848320e-05
|
||||
5*0.0 -5.797791527530e-05 3.716015760640e-06 0.0 1.676618934370e-05 -2.087570950570e-05 5*0.0 1.170037957010e-04 -5.246486039270e-06 0.0 -2.331494469080e-05 3.130784291040e-05
|
||||
5*0.0 -5.770257465180e-05 3.582776094910e-06 0.0 1.634519733030e-05 -2.131996759950e-05 5*0.0 1.161559062570e-04 -4.982788781830e-06 0.0 -2.253966985770e-05 3.175348463650e-05
|
||||
5*0.0 -5.742159179630e-05 3.450712730520e-06 0.0 1.592926359380e-05 -2.175150823210e-05 5*0.0 1.152867784640e-04 -4.722084948200e-06 0.0 -2.177199107350e-05 3.218367961720e-05
|
||||
5*0.0 -5.713470091780e-05 3.319830462570e-06 0.0 1.551826505580e-05 -2.217044497730e-05 5*0.0 1.143970360680e-04 -4.464400284180e-06 0.0 -2.101198925160e-05 3.259855610960e-05
|
||||
5*0.0 -5.684166517590e-05 3.190134714170e-06 0.0 1.511208757270e-05 -2.257689070270e-05 5*0.0 1.134873033380e-04 -4.209758972700e-06 0.0 -2.025974250880e-05 3.299824461100e-05
|
||||
5*0.0 -5.654227370400e-05 3.061631165820e-06 0.0 1.471062587170e-05 -2.297095769840e-05 5*0.0 1.125582044280e-04 -3.958183649570e-06 0.0 -1.951532607750e-05 3.338287779650e-05
|
||||
5*0.0 -5.623634136580e-05 2.934326028680e-06 0.0 1.431378281770e-05 -2.335275777320e-05 5*0.0 1.116103627520e-04 -3.709695419660e-06 0.0 -1.877881222460e-05 3.375259045530e-05
|
||||
5*0.0 -5.592370785930e-05 2.808225780470e-06 0.0 1.392146884880e-05 -2.372240237770e-05 5*0.0 1.106444004240e-04 -3.464313878820e-06 0.0 -1.805027017730e-05 3.410751942460e-05
|
||||
5*0.0 -5.560423484370e-05 2.683337163020e-06 0.0 1.353360179200e-05 -2.408000267780e-05 5*0.0 1.096609376930e-04 -3.222057129390e-06 0.0 -1.732976606530e-05 3.444780352280e-05
|
||||
5*0.0 -5.527780684910e-05 2.559667075920e-06 0.0 1.315010615360e-05 -2.442566965890e-05 5*0.0 1.086605924320e-04 -2.982941803070e-06 0.0 -1.661736286700e-05 3.477358348090e-05
|
||||
5*0.0 -5.494432903520e-05 2.437222638450e-06 0.0 1.277091274080e-05 -2.475951419010e-05 5*0.0 1.076439796530e-04 -2.746983081260e-06 0.0 -1.591312036520e-05 3.508500187350e-05
|
||||
5*0.0 -5.460372679830e-05 2.316011121220e-06 0.0 1.239595831730e-05 -2.508164709910e-05 5*0.0 1.066117110360e-04 -2.514194717400e-06 0.0 -1.521709511260e-05 3.538220304860e-05
|
||||
5*0.0 -5.425594353510e-05 2.196039755780e-06 0.0 1.202518528340e-05 -2.539217925120e-05 5*0.0 1.055643945060e-04 -2.284589059460e-06 0.0 -1.452934040080e-05 3.566533305650e-05
|
||||
5*0.0 -5.390094130630e-05 2.077315955380e-06 0.0 1.165854117960e-05 -2.569122157760e-05 5*0.0 1.045026338120e-04 -2.058177072140e-06 0.0 -1.384990624350e-05 3.593453957890e-05
|
||||
5*0.0 -5.353869864370e-05 1.959847017920e-06 0.0 1.129597833990e-05 -2.597888516450e-05 5*0.0 1.034270281540e-04 -1.834968362980e-06 0.0 -1.317883935860e-05 3.618997185670e-05
|
||||
5*0.0 -5.316921064570e-05 1.843640314310e-06 0.0 1.093745359850e-05 -2.625528126310e-05 5*0.0 1.023381718150e-04 -1.614971203390e-06 0.0 -1.251618316090e-05 3.643178061780e-05
|
||||
5*0.0 -5.279248640980e-05 1.728702986990e-06 0.0 1.058292802260e-05 -2.652052136110e-05 5*0.0 1.012366538240e-04 -1.398192556010e-06 0.0 -1.186197776090e-05 3.666011800520e-05
|
||||
5*0.0 -5.240855039950e-05 1.615042302060e-06 0.0 1.023236660470e-05 -2.677471719900e-05 5*0.0 1.001230576430e-04 -1.184638098540e-06 0.0 -1.121625996790e-05 3.687513750460e-05
|
||||
5*0.0 -5.201743991070e-05 1.502665173990e-06 0.0 9.885737815960e-06 -2.701798081110e-05 5*0.0 9.899796087810e-05 -9.743122494350e-07 0.0 -1.057906329730e-05 3.707699387160e-05
|
||||
5*0.0 -5.161920573380e-05 1.391578574630e-06 0.0 9.543013490220e-06 -2.725042454830e-05 5*0.0 9.786193498450e-05 -7.672181924460e-07 0.0 -9.950417986490e-06 3.726584306050e-05
|
||||
5*0.0 -5.121390964120e-05 1.281789115460e-06 0.0 9.204168471770e-06 -2.747216109370e-05 5*0.0 9.671554503510e-05 -5.633579045850e-07 0.0 -9.330351011730e-06 3.744184215150e-05
|
||||
5*0.0 -5.080162495620e-05 1.173303348610e-06 0.0 8.869180517530e-06 -2.768330349720e-05 5*0.0 9.555934946760e-05 -3.627321801190e-07 0.0 -8.718886110080e-06 3.760514927980e-05
|
||||
5*0.0 -5.038243594050e-05 1.066127560410e-06 0.0 8.538029872370e-06 -2.788396517170e-05 5*0.0 9.439389987150e-05 -1.653406578220e-07 0.0 -8.116043806690e-06 3.775592356400e-05
|
||||
5*0.0 -4.995643626120e-05 9.602677892950e-07 0.0 8.210699245640e-06 -2.807425991840e-05 5*0.0 9.321974078810e-05 2.881815260200e-08 0.0 -7.521841443990e-06 3.789432503590e-05
|
||||
5*0.0 -4.952372889090e-05 8.557298441970e-07 0.0 7.887173315730e-06 -2.825430191510e-05 5*0.0 9.203740951920e-05 2.197468449890e-07 0.0 -6.936293216160e-06 3.802051457040e-05
|
||||
5*0.0 -4.908442566370e-05 7.525192691160e-07 0.0 7.567438788430e-06 -2.842420574610e-05 5*0.0 9.084743595970e-05 4.074490896350e-07 0.0 -6.359410204020e-06 3.813465381550e-05
|
||||
5*0.0 -4.863864575410e-05 6.506412465590e-07 0.0 7.251484227930e-06 -2.858408638140e-05 5*0.0 8.965034244260e-05 5.919296068140e-07 0.0 -5.791200416840e-06 3.823690512460e-05
|
||||
5*0.0 -4.818651658010e-05 5.501007851380e-07 0.0 6.939299579870e-06 -2.873405918770e-05 5*0.0 8.844664359990e-05 7.731941408060e-07 0.0 -5.231668832350e-06 3.832743148750e-05
|
||||
5*0.0 -4.772817186230e-05 4.509025034870e-07 0.0 6.630876422670e-06 -2.887423991820e-05 5*0.0 8.723684623210e-05 9.512494333960e-07 0.0 -4.680817442520e-06 3.840639646410e-05
|
||||
5*0.0 -4.726375203860e-05 3.530507290210e-07 0.0 6.326207335820e-06 -2.900474469630e-05 5*0.0 8.602144919390e-05 1.126103197540e-06 0.0 -4.138645301130e-06 3.847396411750e-05
|
||||
5*0.0 -4.679340350500e-05 2.565495000770e-07 0.0 6.025286168300e-06 -2.912569003390e-05 5*0.0 8.480094329860e-05 1.297764090680e-06 0.0 -3.605148569860e-06 3.853029894890e-05
|
||||
5*0.0 -4.631727733860e-05 1.614023917340e-07 0.0 5.728107696830e-06 -2.923719279720e-05 5*0.0 8.357581122070e-05 1.466241689780e-06 0.0 -3.080320572680e-06 3.857556583350e-05
|
||||
5*0.0 -4.583553058150e-05 6.761282232000e-08 0.0 5.434667474970e-06 -2.933937018860e-05 5*0.0 8.234652741890e-05 1.631546464720e-06 0.0 -2.564151846380e-06 3.860992995620e-05
|
||||
5*0.0 -4.534832370430e-05 -2.481631134360e-08 0.0 5.144961845850e-06 -2.943233976490e-05 5*0.0 8.111355807500e-05 1.793689752760e-06 0.0 -2.056630194520e-06 3.863355675000e-05
|
||||
5*0.0 -4.485582233880e-05 -1.158823415810e-07 0.0 4.858987567000e-06 -2.951621937840e-05 5*0.0 7.987736103270e-05 1.952683732150e-06 0.0 -1.557740742930e-06 3.864661183410e-05
|
||||
5*0.0 -4.435819457100e-05 -2.055830581310e-07 0.0 4.576742103850e-06 -2.959112720310e-05 5*0.0 7.863838574320e-05 2.108541398810e-06 0.0 -1.067465997400e-06 3.864926095400e-05
|
||||
5*0.0 -4.385561283120e-05 -2.939165148390e-07 0.0 4.298223078400e-06 -2.965718166310e-05 5*0.0 7.739707324270e-05 2.261276539110e-06 0.0 -5.857858987040e-07 3.864166992210e-05
|
||||
5*0.0 -4.334825200590e-05 -3.808811906950e-07 0.0 4.023428497160e-06 -2.971450146950e-05 5*0.0 7.615385610920e-05 2.410903706030e-06 0.0 -1.126778834620e-07 3.862400455950e-05
|
||||
5*0.0 -4.283628945760e-05 -4.664759107450e-07 0.0 3.752356506640e-06 -2.976320555370e-05 5*0.0 7.490915845330e-05 2.557438193920e-06 0.0 3.518830578700e-07 3.859643063950e-05
|
||||
50
tests/DFTB/nonscc/nonscc_parameter
Normal file
50
tests/DFTB/nonscc/nonscc_parameter
Normal file
|
|
@ -0,0 +1,50 @@
|
|||
B B bb
|
||||
C B cb
|
||||
C N cn
|
||||
F C fc
|
||||
H H hh
|
||||
N O no
|
||||
O H oh
|
||||
H O oh
|
||||
O Si osi-d
|
||||
Sc Sc scsc
|
||||
Si N sin
|
||||
Si Si sisi-d
|
||||
B C bc
|
||||
C C cc
|
||||
C O co
|
||||
F F ff
|
||||
N C nc
|
||||
N Sc nsc
|
||||
O N on
|
||||
P P pp
|
||||
Si C sic
|
||||
Si O sio
|
||||
B H bh
|
||||
C F cf
|
||||
C Sc csc
|
||||
F H fh
|
||||
H F fh
|
||||
Mo Mo momo
|
||||
N B nb
|
||||
N H nh
|
||||
N Si nsi
|
||||
O O oo
|
||||
Sc C scc
|
||||
Si H sih
|
||||
Si O sio-d
|
||||
B N bn
|
||||
C H ch
|
||||
H C ch
|
||||
C Si csi
|
||||
H B hb
|
||||
Mo S mos
|
||||
N N nn
|
||||
O C oc
|
||||
O Si osi
|
||||
Sc N scn
|
||||
SI H sih-d
|
||||
Si Si sisi
|
||||
S S ss
|
||||
|
||||
|
||||
141
tests/DFTB/nonscc/nsc
Normal file
141
tests/DFTB/nonscc/nsc
Normal file
|
|
@ -0,0 +1,141 @@
|
|||
0.1, 140,
|
||||
0.0, 0.0252298721, 0.0705981352, -0.0101181398, 0.0245559054, -0.0026172938, 3*0.0, 4.31, 5.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
3*0.0 -1.05687284 -1.24252249 0.44991826 0.36976225 -0.74873766 -0.14405213 0.25333503 3*0.0 0.34868933 0.33426239 0.12044577 0.08567679 0.01947997 -0.08289477 0.16861474
|
||||
3*0.0 -0.99828695 -1.35244443 0.33464706 0.37531353 -0.75074196 0.04728980 0.07287767 3*0.0 0.39247433 0.39635860 0.15141451 0.09562525 0.01474413 -0.11105317 0.18702391
|
||||
3*0.0 -0.87318273 -1.39833237 0.17569364 0.35564122 -0.66812761 0.15251150 -0.04218800 3*0.0 0.41688727 0.44756876 0.18726875 0.10786177 0.00212460 -0.13751499 0.20451817
|
||||
3*0.0 -0.71406452 -1.39536422 0.00642978 0.31780571 -0.53339277 0.19078345 -0.10199951 3*0.0 0.42371570 0.48796679 0.22527508 0.12191161 -0.01791459 -0.16165148 0.22039926
|
||||
3*0.0 -0.54479760 -1.35723535 -0.15003149 0.26888608 -0.37446754 0.18814144 -0.12589179 3*0.0 0.41543636 0.51805991 0.26266270 0.13718887 -0.04408415 -0.18368272 0.23467821
|
||||
3*0.0 -0.38124077 -1.29535614 -0.28054024 0.21481271 -0.21200262 0.16668188 -0.13133364 3*0.0 0.39480407 0.53863885 0.29696772 0.15307483 -0.07468889 -0.20424821 0.24771656
|
||||
3*0.0 -0.23279432 -1.21873548 -0.37965776 0.16005290 -0.05957443 0.14169232 -0.13062783 3*0.0 0.36456904 0.55065802 0.32621931 0.16897556 -0.10793850 -0.22408174 0.25995846
|
||||
3*0.0 -0.10409684 -1.13419018 -0.44713087 0.10768895 0.07504408 0.12210935 -0.13098912 3*0.0 0.32730040 0.55514531 0.34900680 0.18435921 -0.14215046 -0.24381211 0.27177336
|
||||
3*0.0 0.00345742 -1.04668352 -0.48579288 0.05965713 0.18836854 0.11204719 -0.13575289 3*0.0 0.28529004 0.55313755 0.36446760 0.19877679 -0.17586497 -0.26386731 0.28338704
|
||||
3*0.0 0.09050777 -0.95969033 -0.49999490 0.01701182 0.27981156 0.11241578 -0.14571645 3*0.0 0.24051226 0.54563697 0.37222863 0.21187041 -0.20789550 -0.28444989 0.29487080
|
||||
3*0.0 0.15883610 -0.87553523 -0.49457264 -0.01982611 0.35056117 0.12224723 -0.16023706 3*0.0 0.19461960 0.53358370 0.37232519 0.22337288 -0.23733679 -0.30555517 0.30616282
|
||||
3*0.0 0.21075603 -0.79568173 -0.47421159 -0.05086773 0.40275788 0.13965142 -0.17800733 3*0.0 0.14895980 0.51784016 0.36511344 0.23310180 -0.26354729 -0.32701112 0.31710351
|
||||
3*0.0 0.24872236 -0.72096668 -0.44310405 -0.07640090 0.43893692 0.16243977 -0.19754464 3*0.0 0.10460365 0.49918381 0.35118662 0.24095044 -0.28611808 -0.34852591 0.32747339
|
||||
3*0.0 0.27509943 -0.65178312 -0.40480720 -0.09687280 0.46167923 0.18849284 -0.21746736 3*0.0 0.06237715 0.47830551 0.33130043 0.24687722 -0.30483657 -0.36973440 0.33702732
|
||||
3*0.0 0.29203802 -0.58821882 -0.36220930 -0.11281112 0.47341202 0.21595224 -0.23662698 3*0.0 0.02289411 0.45581162 0.30630997 0.25089478 -0.31964974 -0.39023895 0.34552226
|
||||
3*0.0 0.30142238 -0.53015894 -0.31757709 -0.12476752 0.47630990 0.24329811 -0.25415100 3*0.0 -0.01341303 0.43222830 0.27711858 0.25305959 -0.33062989 -0.40964251 0.35273770
|
||||
3*0.0 0.30485932 -0.47736048 -0.27262923 -0.13328273 0.47225875 0.26935930 -0.26943531 3*0.0 -0.04626481 0.40800713 0.24463767 0.25346235 -0.33794417 -0.42757359 0.35848926
|
||||
3*0.0 0.30369136 -0.42950524 -0.22862515 -0.13886482 0.46285636 0.29328627 -0.28211141 3*0.0 -0.07550941 0.38353126 0.20975611 0.25221942 -0.34182839 -0.44370372 0.36263650
|
||||
3*0.0 0.29902215 -0.38623678 -0.18645088 -0.14197812 0.44943274 0.31450717 -0.29200384 3*0.0 -0.10110005 0.35912189 0.17331770 0.24946549 -0.34256503 -0.45775842 0.36508587
|
||||
3*0.0 0.29174657 -0.34718558 -0.14669915 -0.14303797 0.43307929 0.33267858 -0.29908681 3*0.0 -0.12307507 0.33504454 0.13610510 0.24534722 -0.34046525 -0.46952289 0.36579037
|
||||
3*0.0 0.28258155 -0.31198572 -0.10973742 -0.14241035 0.41468083 0.34763777 -0.30344466 3*0.0 -0.14154042 0.31151518 0.09882906 0.24001795 -0.33585443 -0.47884363 0.36474654
|
||||
3*0.0 0.27209538 -0.28028550 -0.07576510 -0.14041383 0.39494671 0.35935984 -0.30523829 3*0.0 -0.15665442 0.28870598 0.06212177 0.23363339 -0.32906068 -0.48562697 0.36198996
|
||||
3*0.0 0.26073373 -0.25175365 -0.04485842 -0.13732313 0.37443960 0.36792139 -0.30467780 3*0.0 -0.16861451 0.26675073 0.02653344 0.22634801 -0.32040614 -0.48983550 0.35758981
|
||||
3*0.0 0.24884270 -0.22608272 -0.01700598 -0.13337339 0.35360088 0.37347064 -0.30200134 3*0.0 -0.17764582 0.24574974 -0.00746845 0.21831227 -0.31020033 -0.49148305 0.35164309
|
||||
3*0.0 0.23668834 -0.20299033 0.00786434 -0.12876458 0.33277269 0.37620377 -0.29745917 3*0.0 -0.18399147 0.22577452 -0.03949792 0.20967035 -0.29873544 -0.49062878 0.34426875
|
||||
3*0.0 0.22447299 -0.18221915 0.02986586 -0.12366584 0.31221661 0.37634657 -0.29130219 3*0.0 -0.18790442 0.20687181 -0.06924761 0.20055849 -0.28628308 -0.48737095 0.33560216
|
||||
3*0.0 0.21234882 -0.16353596 0.04913834 -0.11821955 0.29212941 0.37414076 -0.28377399 3*0.0 -0.18964066 0.18906744 -0.09648467 0.19110376 -0.27309226 -0.48184038 0.32578994
|
||||
3*0.0 0.20042877 -0.14673029 0.06583774 -0.11254486 0.27265598 0.36983384 -0.27510556 3*0.0 -0.18945373 0.17236962 -0.12104566 0.18142321 -0.25938833 -0.47419423 0.31498535
|
||||
3*0.0 0.18879542 -0.13161272 0.08012937 -0.10674104 0.25390006 0.36367188 -0.26551215 3*0.0 -0.18759030 0.15677200 -0.14283079 0.17162336 -0.24537275 -0.46460994 0.30334423
|
||||
3*0.0 0.17750791 -0.11801310 0.09218231 -0.10089025 0.23593288 0.35589442 -0.25519154 3*0.0 -0.18428675 0.14225629 -0.16179769 0.16179994 -0.23122336 -0.45327959 0.29102152
|
||||
3*0.0 0.16660751 -0.10577876 0.10216631 -0.09505995 0.21880014 0.34673112 -0.24432333 3*0.0 -0.17976664 0.12879465 -0.17795483 0.15203792 -0.21709520 -0.44040475 0.27816835
|
||||
3*0.0 0.15612188 -0.09477278 0.11024923 -0.08930511 0.20252765 0.33639948 -0.23306901 3*0.0 -0.17423888 0.11635169 -0.19135490 0.14241165 -0.20312153 -0.42619180 0.26492965
|
||||
3*0.0 0.14606831 -0.08487240 0.11659528 -0.08366997 0.18712576 0.32510350 -0.22157240 3*0.0 -0.16789653 0.10488630 -0.20208823 0.13298524 -0.18941523 -0.41084780 0.25144227
|
||||
3*0.0 0.13645630 -0.07596748 0.12136378 -0.07818957 0.17259290 0.31303282 -0.20996048 3*0.0 -0.16091617 0.09435315 -0.21027636 0.12381297 -0.17607018 -0.39457694 0.23783356
|
||||
3*0.0 0.12728942 -0.06795923 0.12470825 -0.07289120 0.15891833 0.30036246 -0.19834428 3*0.0 -0.15345763 0.08470401 -0.21606587 0.11493988 -0.16316288 -0.37757743 0.22422032
|
||||
3*0.0 0.11856674 -0.06075890 0.12677544 -0.06779547 0.14608440 0.28725268 -0.18681995 3*0.0 -0.14566414 0.07588889 -0.21962266 0.10640237 -0.15075400 -0.36003901 0.21070818
|
||||
3*0.0 0.11028392 -0.05428674 0.12770503 -0.06291735 0.13406820 0.27384916 -0.17546985 3*0.0 -0.13766268 0.06785692 -0.22112652 0.09822887 -0.13888997 -0.34214085 0.19739121
|
||||
3*0.0 0.10243403 -0.04847103 0.12762907 -0.05826703 0.12284292 0.26028330 -0.16436356 3*0.0 -0.12956468 0.06055719 -0.22076634 0.09044051 -0.12760449 -0.32404997 0.18435184
|
||||
3*0.0 0.09500814 -0.04324721 0.12667169 -0.05385070 0.11237896 0.24667263 -0.15355902 3*0.0 -0.12146669 0.05393932 -0.21873571 0.08305188 -0.11692007 -0.30592005 0.17166104
|
||||
3*0.0 0.08799576 -0.03855711 0.12494894 -0.04967117 0.10264472 0.23312133 -0.14310353 3*0.0 -0.11345136 0.04795404 -0.21522908 0.07607166 -0.10684939 -0.28789069 0.15937859
|
||||
3*0.0 0.08138525 -0.03434828 0.12256870 -0.04572843 0.09360731 0.21972082 -0.13303474 3*0.0 -0.10558836 0.04255355 -0.21043846 0.06950338 -0.09739666 -0.27008691 0.14755362
|
||||
3*0.0 0.07516407 -0.03057342 0.11963070 -0.04202019 0.08523305 0.20655044 -0.12338164 3*0.0 -0.09793542 0.03769185 -0.20455062 0.06334601 -0.08855884 -0.25261903 0.13622519
|
||||
3*0.0 0.06931896 -0.02718981 0.11622668 -0.03854227 0.07748794 0.19367808 -0.11416545 3*0.0 -0.09053937 0.03332499 -0.19774476 0.05759464 -0.08032678 -0.23558281 0.12542298
|
||||
3*0.0 0.06383621 -0.02415887 0.11244050 -0.03528899 0.07033799 0.18116098 -0.10540053 3*0.0 -0.08343716 0.02941119 -0.19019069 0.05224106 -0.07268627 -0.21905982 0.11516802
|
||||
3*0.0 0.05870170 -0.02144573 0.10834848 -0.03225345 0.06374950 0.16904647 -0.09709514 3*0.0 -0.07665687 0.02591101 -0.18204738 0.04727434 -0.06561898 -0.20311791 0.10547352
|
||||
3*0.0 0.05390111 -0.01901889 0.10401966 -0.02942784 0.05768932 0.15737273 -0.08925228 3*0.0 -0.07021873 0.02278737 -0.17346200 0.04268128 -0.05910332 -0.18781198 0.09634565
|
||||
3*0.0 0.04941999 -0.01684984 0.09951615 -0.02680369 0.05212501 0.14616957 -0.08187035 3*0.0 -0.06413604 0.02000557 -0.16456920 0.03844693 -0.05311517 -0.17318475 0.08778434
|
||||
3*0.0 0.04524387 -0.01491281 0.09489354 -0.02437199 0.04702502 0.13545920 -0.07494387 3*0.0 -0.05841606 0.01753329 -0.15549079 0.03455502 -0.04762861 -0.15926763 0.07978409
|
||||
3*0.0 0.04135829 -0.01318451 0.09020124 -0.02212347 0.04235878 0.12525699 -0.06846404 3*0.0 -0.05306085 0.01534055 -0.14633565 0.03098828 -0.04261646 -0.14608173 0.07233475
|
||||
3*0.0 0.03774894 -0.01164386 0.08548293 -0.02004864 0.03809684 0.11557220 -0.06241935 3*0.0 -0.04806804 0.01339963 -0.13719985 0.02772883 -0.03805080 -0.13363879 0.06542219
|
||||
3*0.0 0.03440170 -0.01027180 0.08077691 -0.01813797 0.03421090 0.10640866 -0.05679605 3*0.0 -0.04343156 0.01168501 -0.12816705 0.02475845 -0.03390344 -0.12194220 0.05902904
|
||||
3*0.0 0.03130264 -0.00905110 0.07611652 -0.01638198 0.03067391 0.09776547 -0.05157863 3*0.0 -0.03914228 0.01017325 -0.11930897 0.02205883 -0.03014626 -0.11098797 0.05313533
|
||||
3*0.0 0.02843814 -0.00796618 0.07153051 -0.01477130 0.02746006 0.08963760 -0.04675021 3*0.0 -0.03518861 0.00884292 -0.11068601 0.01961178 -0.02675155 -0.10076574 0.04771903
|
||||
3*0.0 0.02579489 -0.00700298 0.06704342 -0.01329675 0.02454484 0.08201646 -0.04229293 3*0.0 -0.03155702 0.00767449 -0.10234797 0.01739944 -0.02369224 -0.09125962 0.04275661
|
||||
3*0.0 0.02335994 -0.00614879 0.06267591 -0.01194941 0.02190503 0.07489051 -0.03818825 3*0.0 -0.02823252 0.00665017 -0.09433484 0.01540440 -0.02094215 -0.08244915 0.03822352
|
||||
3*0.0 0.02112070 -0.00539213 0.05844509 -0.01072063 0.01951869 0.06824569 -0.03441724 3*0.0 -0.02519907 0.00575385 -0.08667760 0.01360983 -0.01847611 -0.07431009 0.03409460
|
||||
3*0.0 0.01906501 -0.00472266 0.05436487 -0.00960209 0.01736519 0.06206591 -0.03096080 3*0.0 -0.02243996 0.00497098 -0.07939912 0.01199957 -0.01627010 -0.06681518 0.03034446
|
||||
3*0.0 0.01718111 -0.00413104 0.05044623 -0.00858580 0.01542512 0.05633347 -0.02779991 3*0.0 -0.01993810 0.00428843 -0.07251491 0.01055820 -0.01430135 -0.05993487 0.02694778
|
||||
3*0.0 0.01545770 -0.00360887 0.04669750 -0.00766413 0.01368033 0.05102942 -0.02491574 3*0.0 -0.01767632 0.00369440 -0.06603404 0.00927112 -0.01254840 -0.05363792 0.02387959
|
||||
3*0.0 0.01388391 -0.00314857 0.04312464 -0.00682984 0.01211384 0.04613391 -0.02228986 3*0.0 -0.01563754 0.00317830 -0.05995990 0.00812455 -0.01099111 -0.04789198 0.02111551
|
||||
3*0.0 0.01244934 -0.00274335 0.03973148 -0.00607605 0.01070984 0.04162647 -0.01990433 3*0.0 -0.01380505 0.00273068 -0.05429099 0.00710554 -0.00961068 -0.04266411 0.01863191
|
||||
3*0.0 0.01114406 -0.00238707 0.03651996 -0.00539625 0.00945364 0.03748630 -0.01774180 3*0.0 -0.01216257 0.00234310 -0.04902162 0.00620202 -0.00838965 -0.03792123 0.01640606
|
||||
3*0.0 0.00995860 -0.00207426 0.03349034 -0.00478434 0.00833162 0.03369246 -0.01578559 3*0.0 -0.01069442 0.00200804 -0.04414262 0.00540275 -0.00731190 -0.03363044 0.01441628
|
||||
3*0.0 0.00888395 -0.00179997 0.03064139 -0.00423456 0.00733115 0.03022413 -0.01401971 3*0.0 -0.00938561 0.00171885 -0.03964194 0.00469731 -0.00636254 -0.02975942 0.01264195
|
||||
3*0.0 0.00791159 -0.00155981 0.02797063 -0.00374153 0.00644062 0.02706070 -0.01242898 3*0.0 -0.00822190 0.00146962 -0.03550527 0.00407612 -0.00552794 -0.02627664 0.01106365
|
||||
3*0.0 0.00703343 -0.00134982 0.02547446 -0.00330023 0.00564930 0.02418201 -0.01099900 3*0.0 -0.00718985 0.00125515 -0.03171649 0.00353034 -0.00479565 -0.02315161 0.00966313
|
||||
3*0.0 0.00624188 -0.00116646 0.02314836 -0.00290598 0.00494736 0.02156838 -0.00971615 3*0.0 -0.00627685 0.00107085 -0.02825819 0.00305190 -0.00415431 -0.02035507 0.00842333
|
||||
3*0.0 0.00552974 -0.00100660 0.02098701 -0.00255443 0.00432577 0.01920079 -0.00856766 3*0.0 -0.00547115 0.00091267 -0.02511206 0.00263342 -0.00359364 -0.01785908 0.00732841
|
||||
3*0.0 0.00489030 -0.00086743 0.01898447 -0.00224155 0.00377628 0.01706090 -0.00754155 3*0.0 -0.00476182 0.00077710 -0.02225925 0.00226821 -0.00310434 -0.01563713 0.00636369
|
||||
3*0.0 0.00431724 -0.00074644 0.01713426 -0.00196363 0.00329137 0.01513114 -0.00662663 3*0.0 -0.00413876 0.00066102 -0.01968066 0.00195018 -0.00267802 -0.01366425 0.00551567
|
||||
3*0.0 0.00380469 -0.00064141 0.01542955 -0.00171723 0.00286419 0.01339477 -0.00581251 3*0.0 -0.00359271 0.00056175 -0.01735727 0.00167385 -0.00230717 -0.01191699 0.00477192
|
||||
3*0.0 0.00334715 -0.00055038 0.01386320 -0.00149919 0.00248849 0.01183587 -0.00508953 3*0.0 -0.00311516 0.00047693 -0.01527030 0.00143426 -0.00198503 -0.01037344 0.00412109
|
||||
3*0.0 0.00293953 -0.00047159 0.01242789 -0.00130664 0.00215865 0.01043940 -0.00444878 3*0.0 -0.00269838 0.00040451 -0.01340140 0.00122699 -0.00170560 -0.00901328 0.00355284
|
||||
3*0.0 0.00257709 -0.00040350 0.01111622 -0.00113692 0.00186956 0.00919121 -0.00388204 3*0.0 -0.00233534 0.00034274 -0.01173284 0.00104805 -0.00146354 -0.00781766 0.00305779
|
||||
3*0.0 0.00225547 -0.00034475 0.00992074 -0.00098761 0.00161660 0.00807799 -0.00338175 3*0.0 -0.00201967 0.00029008 -0.01024759 0.00089390 -0.00125409 -0.00676924 0.00262743
|
||||
3*0.0 0.00197063 -0.00029412 0.00883408 -0.00085652 0.00139565 0.00708733 -0.00294101 3*0.0 -0.00174567 0.00024520 -0.00892943 0.00076138 -0.00107307 -0.00585212 0.00225411
|
||||
3*0.0 0.00171887 -0.00025056 0.00784897 -0.00074164 0.00120296 0.00620765 -0.00255348 3*0.0 -0.00150818 0.00020697 -0.00776300 0.00064769 -0.00091676 -0.00505174 0.00193096
|
||||
3*0.0 0.00149679 -0.00021313 0.00695828 -0.00064118 0.00103520 0.00542822 -0.00221342 3*0.0 -0.00130261 0.00017442 -0.00673384 0.00055034 -0.00078191 -0.00435486 0.00165179
|
||||
3*0.0 0.00130127 -0.00018103 0.00615511 -0.00055348 0.00088938 0.00473909 -0.00191558 3*0.0 -0.00112489 0.00014670 -0.00582844 0.00046715 -0.00066567 -0.00374947 0.00141111
|
||||
3*0.0 0.00112947 -0.00015352 0.00543278 -0.00047709 0.00076284 0.00413110 -0.00165522 3*0.0 -0.00097137 0.00012310 -0.00503420 0.00039619 -0.00056554 -0.00322471 0.00120403
|
||||
3*0.0 0.00097881 -0.00012999 0.00478487 -0.00041066 0.00065320 0.00359583 -0.00142807 3*0.0 -0.00083885 0.00010300 -0.00433948 0.00033577 -0.00047933 -0.00277080 0.00102618
|
||||
3*0.0 0.00084694 -0.00010989 0.00420526 -0.00035301 0.00055835 0.00312556 -0.00123026 3*0.0 -0.00072450 0.00008589 -0.00373354 0.00028441 -0.00040515 -0.00237897 0.00087371
|
||||
3*0.0 0.00073173 -0.00009274 0.00368814 -0.00030307 0.00047643 0.00271323 -0.00105832 3*0.0 -0.00062585 0.00007132 -0.00320653 0.00024083 -0.00034135 -0.00204139 0.00074325
|
||||
3*0.0 0.00063126 -0.00007813 0.00322799 -0.00025989 0.00040577 0.00235243 -0.00090914 3*0.0 -0.00054071 0.00005891 -0.00274945 0.00020389 -0.00028650 -0.00175105 0.00063179
|
||||
3*0.0 0.00054381 -0.00006570 0.00281964 -0.00022262 0.00034493 0.00203734 -0.00077993 3*0.0 -0.00046720 0.00004834 -0.00235412 0.00017263 -0.00023937 -0.00150175 0.00053671
|
||||
3*0.0 0.00046782 -0.00005514 0.00245822 -0.00019051 0.00029261 0.00176267 -0.00066821 3*0.0 -0.00040366 0.00003933 -0.00201313 0.00014621 -0.00019888 -0.00128799 0.00045573
|
||||
3*0.0 0.00040190 -0.00004617 0.00213920 -0.00016289 0.00024768 0.00152366 -0.00057178 3*0.0 -0.00034869 0.00003167 -0.00171981 0.00012388 -0.00016412 -0.00110494 0.00038685
|
||||
3*0.0 0.00034481 -0.00003857 0.00185837 -0.00013917 0.00020916 0.00131605 -0.00048868 3*0.0 -0.00030105 0.00002515 -0.00146816 0.00010504 -0.00013430 -0.00094832 0.00032832
|
||||
3*0.0 0.00029545 -0.00003213 0.00161181 -0.00011883 0.00017617 0.00113598 -0.00041717 3*0.0 -0.00025968 0.00001961 -0.00125279 0.00008914 -0.00010874 -0.00081441 0.00027864
|
||||
3*0.0 0.00025282 -0.00002669 0.00139593 -0.00010140 0.00014797 0.00098002 -0.00035572 3*0.0 -0.00022367 0.00001490 -0.00106894 0.00007573 -0.00008685 -0.00069995 0.00023651
|
||||
3*0.0 0.00021607 -0.00002210 0.00120741 -0.00008650 0.00012389 0.00084512 -0.00030299 3*0.0 -0.00019227 0.00001092 -0.00091234 0.00006441 -0.00006813 -0.00060211 0.00020079
|
||||
3*0.0 0.00018441 -0.00001822 0.00104322 -0.00007376 0.00010336 0.00072855 -0.00025779 3*0.0 -0.00016480 0.00000755 -0.00077925 0.00005484 -0.00005216 -0.00051843 0.00017052
|
||||
3*0.0 0.00015718 -0.00001496 0.00090060 -0.00006289 0.00008588 0.00062791 -0.00021909 3*0.0 -0.00014071 0.00000472 -0.00066635 0.00004676 -0.00003857 -0.00044679 0.00014487
|
||||
3*0.0 0.00013378 -0.00001221 0.00077704 -0.00005361 0.00007102 0.00054107 -0.00018598 3*0.0 -0.00011953 0.00000236 -0.00057075 0.00003992 -0.00002704 -0.00038536 0.00012313
|
||||
3*0.0 0.00011368 -0.00000990 0.00067025 -0.00004569 0.00005841 0.00046616 -0.00015767 3*0.0 -0.00010085 0.00000039 -0.00048990 0.00003411 -0.00001730 -0.00033258 0.00010469
|
||||
3*0.0 0.00009642 -0.00000797 0.00057819 -0.00003894 0.00004772 0.00040153 -0.00013348 3*0.0 -0.00008434 -0.00000123 -0.00042160 0.00002917 -0.00000912 -0.00028711 0.00008903
|
||||
3*0.0 0.00008162 -0.00000635 0.00049901 -0.00003317 0.00003869 0.00034575 -0.00011282 3*0.0 -0.00006972 -0.00000255 -0.00036393 0.00002496 -0.00000230 -0.00024781 0.00007572
|
||||
3*0.0 0.00006893 -0.00000500 0.00043106 -0.00002825 0.00003108 0.00029756 -0.00009517 3*0.0 -0.00005675 -0.00000361 -0.00031525 0.00002136 0.00000334 -0.00021372 0.00006438
|
||||
3*0.0 0.00005804 -0.00000387 0.00037285 -0.00002404 0.00002467 0.00025589 -0.00008009 3*0.0 -0.00004523 -0.00000444 -0.00027413 0.00001826 0.00000794 -0.00018401 0.00005470
|
||||
3*0.0 0.00004870 -0.00000294 0.00032309 -0.00002043 0.00001929 0.00021977 -0.00006720 3*0.0 -0.00003498 -0.00000507 -0.00023936 0.00001560 0.00001163 -0.00015801 0.00004642
|
||||
3*0.0 0.00004069 -0.00000217 0.00028060 -0.00001734 0.00001480 0.00018841 -0.00005618 3*0.0 -0.00002588 -0.00000552 -0.00020990 0.00001329 0.00001454 -0.00013513 0.00003932
|
||||
3*0.0 0.00003381 -0.00000154 0.00024437 -0.00001468 0.00001107 0.00016111 -0.00004674 3*0.0 -0.00001779 -0.00000583 -0.00018488 0.00001129 0.00001675 -0.00011490 0.00003319
|
||||
3*0.0 0.00002791 -0.00000102 0.00021348 -0.00001238 0.00000798 0.00013726 -0.00003864 3*0.0 -0.00001063 -0.00000601 -0.00016356 0.00000954 0.00001835 -0.00009692 0.00002790
|
||||
3*0.0 0.00002283 -0.00000060 0.00018716 -0.00001040 0.00000545 0.00011636 -0.00003170 3*0.0 -0.00000429 -0.00000607 -0.00014531 0.00000801 0.00001943 -0.00008085 0.00002330
|
||||
3*0.0 0.00001847 -0.00000026 0.00016472 -0.00000868 0.00000338 0.00009797 -0.00002572 3*0.0 0.00000129 -0.00000604 -0.00012961 0.00000667 0.00002005 -0.00006642 0.00001929
|
||||
3*0.0 0.00001472 0.0 0.00014555 -0.00000718 0.00000172 0.00008172 -0.00002057 3*0.0 0.00000617 -0.00000592 -0.00011603 0.00000548 0.00002027 -0.00005340 0.00001578
|
||||
3*0.0 0.00001149 0.00000021 0.00012915 -0.00000586 0.00000040 0.00006731 -0.00001613 3*0.0 0.00001043 -0.00000574 -0.00010421 0.00000443 0.00002015 -0.00004161 0.00001269
|
||||
3*0.0 0.00000871 0.00000036 0.00011507 -0.00000471 -0.00000062 0.00005446 -0.00001229 3*0.0 0.00001410 -0.00000549 -0.00009386 0.00000350 0.00001973 -0.00003089 0.00000995
|
||||
3*0.0 0.00000632 0.00000047 0.00010293 -0.00000370 -0.00000139 0.00004298 -0.00000896 3*0.0 0.00001723 -0.00000520 -0.00008473 0.00000267 0.00001906 -0.00002113 0.00000752
|
||||
3*0.0 0.00000426 0.00000055 0.00009242 -0.00000280 -0.00000195 0.00003266 -0.00000607 3*0.0 0.00001986 -0.00000487 -0.00007664 0.00000193 0.00001818 -0.00001221 0.00000535
|
||||
3*0.0 0.00000249 0.00000060 0.00008325 -0.00000201 -0.00000233 0.00002336 -0.00000355 3*0.0 0.00002203 -0.00000451 -0.00006941 0.00000128 0.00001712 -0.00000405 0.00000340
|
||||
3*0.0 0.00000098 0.00000062 0.00007520 -0.00000130 -0.00000255 0.00001495 -0.00000137 3*0.0 0.00002378 -0.00000412 -0.00006293 0.00000069 0.00001592 0.00000342 0.00000164
|
||||
3*0.0 -0.00000031 0.00000062 0.00006807 -0.00000067 -0.00000264 0.00000732 0.00000054 3*0.0 0.00002515 -0.00000372 -0.00005708 0.00000017 0.00001460 0.00001026 0.00000005
|
||||
3*0.0 -0.00000140 0.00000060 0.00006171 -0.00000011 -0.00000263 0.00000040 0.00000219 3*0.0 0.00002615 -0.00000331 -0.00005179 -0.00000030 0.00001320 0.00001651 -0.00000139
|
||||
3*0.0 -0.00000233 0.00000057 0.00005599 0.00000039 -0.00000252 -0.00000589 0.00000364 3*0.0 0.00002682 -0.00000289 -0.00004698 -0.00000071 0.00001173 0.00002222 -0.00000271
|
||||
3*0.0 -0.00000310 0.00000052 0.00005079 0.00000083 -0.00000233 -0.00001162 0.00000489 3*0.0 0.00002720 -0.00000247 -0.00004261 -0.00000108 0.00001021 0.00002743 -0.00000392
|
||||
3*0.0 -0.00000374 0.00000047 0.00004604 0.00000123 -0.00000208 -0.00001683 0.00000598 3*0.0 0.00002730 -0.00000206 -0.00003863 -0.00000141 0.00000868 0.00003216 -0.00000503
|
||||
3*0.0 -0.00000426 0.00000041 0.00004165 0.00000158 -0.00000178 -0.00002156 0.00000692 3*0.0 0.00002716 -0.00000165 -0.00003500 -0.00000171 0.00000714 0.00003644 -0.00000605
|
||||
3*0.0 -0.00000467 0.00000034 0.00003757 0.00000189 -0.00000144 -0.00002584 0.00000772 3*0.0 0.00002679 -0.00000126 -0.00003170 -0.00000196 0.00000560 0.00004031 -0.00000700
|
||||
3*0.0 -0.00000498 0.00000027 0.00003377 0.00000216 -0.00000107 -0.00002972 0.00000841 3*0.0 0.00002623 -0.00000087 -0.00002870 -0.00000219 0.00000409 0.00004379 -0.00000787
|
||||
3*0.0 -0.00000521 0.00000020 0.00003020 0.00000240 -0.00000068 -0.00003321 0.00000900 3*0.0 0.00002550 -0.00000050 -0.00002598 -0.00000240 0.00000261 0.00004689 -0.00000868
|
||||
3*0.0 -0.00000536 0.00000012 0.00002684 0.00000261 -0.00000027 -0.00003633 0.00000948 3*0.0 0.00002462 -0.00000015 -0.00002352 -0.00000258 0.00000117 0.00004964 -0.00000943
|
||||
3*0.0 -0.00000544 0.00000005 0.00002367 0.00000279 0.00000015 -0.00003911 0.00000989 3*0.0 0.00002360 0.00000018 -0.00002130 -0.00000273 -0.00000021 0.00005205 -0.00001013
|
||||
3*0.0 -0.00000547 -0.00000003 0.00002067 0.00000295 0.00000057 -0.00004157 0.00001021 3*0.0 0.00002248 0.00000049 -0.00001931 -0.00000287 -0.00000153 0.00005416 -0.00001078
|
||||
3*0.0 -0.00000543 -0.00000010 0.00001784 0.00000307 0.00000099 -0.00004372 0.00001046 3*0.0 0.00002126 0.00000079 -0.00001752 -0.00000299 -0.00000279 0.00005598 -0.00001138
|
||||
3*0.0 -0.00000535 -0.00000017 0.00001517 0.00000318 0.00000140 -0.00004558 0.00001065 3*0.0 0.00001997 0.00000106 -0.00001594 -0.00000310 -0.00000398 0.00005752 -0.00001194
|
||||
3*0.0 -0.00000522 -0.00000024 0.00001265 0.00000326 0.00000181 -0.00004716 0.00001078 3*0.0 0.00001863 0.00000130 -0.00001453 -0.00000319 -0.00000509 0.00005881 -0.00001246
|
||||
3*0.0 -0.00000506 -0.00000031 0.00001027 0.00000332 0.00000221 -0.00004848 0.00001086 3*0.0 0.00001724 0.00000153 -0.00001330 -0.00000327 -0.00000613 0.00005986 -0.00001295
|
||||
3*0.0 -0.00000486 -0.00000037 0.00000804 0.00000337 0.00000258 -0.00004955 0.00001089 3*0.0 0.00001582 0.00000174 -0.00001221 -0.00000335 -0.00000708 0.00006069 -0.00001340
|
||||
3*0.0 -0.00000463 -0.00000043 0.00000595 0.00000339 0.00000295 -0.00005039 0.00001088 3*0.0 0.00001439 0.00000192 -0.00001127 -0.00000341 -0.00000796 0.00006132 -0.00001381
|
||||
3*0.0 -0.00000438 -0.00000049 0.00000400 0.00000341 0.00000329 -0.00005102 0.00001084 3*0.0 0.00001296 0.00000208 -0.00001045 -0.00000346 -0.00000876 0.00006176 -0.00001419
|
||||
3*0.0 -0.00000411 -0.00000054 0.00000218 0.00000340 0.00000361 -0.00005144 0.00001075 3*0.0 0.00001153 0.00000222 -0.00000974 -0.00000351 -0.00000947 0.00006203 -0.00001454
|
||||
3*0.0 -0.00000383 -0.00000058 0.00000051 0.00000339 0.00000391 -0.00005167 0.00001064 3*0.0 0.00001012 0.00000235 -0.00000913 -0.00000356 -0.00001011 0.00006214 -0.00001486
|
||||
3*0.0 -0.00000353 -0.00000063 -0.00000104 0.00000336 0.00000419 -0.00005172 0.00001050 3*0.0 0.00000874 0.00000245 -0.00000861 -0.00000360 -0.00001067 0.00006211 -0.00001515
|
||||
3*0.0 -0.00000322 -0.00000066 -0.00000245 0.00000332 0.00000445 -0.00005161 0.00001034 3*0.0 0.00000739 0.00000253 -0.00000815 -0.00000363 -0.00001116 0.00006195 -0.00001541
|
||||
3*0.0 -0.00000290 -0.00000070 -0.00000374 0.00000328 0.00000468 -0.00005135 0.00001016 3*0.0 0.00000608 0.00000260 -0.00000776 -0.00000366 -0.00001157 0.00006167 -0.00001565
|
||||
501
tests/DFTB/nonscc/nsi
Normal file
501
tests/DFTB/nonscc/nsi
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500
|
||||
0.0 +0.248462 -1.073794 +2.318812 -2.652501 +1.632213 -0.505317 +0.062158 1*0.0 4.50 4.50 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -5.281895306990e-01 4.300318320840e-03 0.0 -9.318648975040e-01 8.800379098910e-01 5*0.0 6.233255287680e-01 6.152016820470e-01 0.0 2.639613905920e-01 -6.878481641500e-01
|
||||
5*0.0 -5.680974992410e-01 -2.202017571310e-02 0.0 -8.958128188740e-01 8.664626382010e-01 5*0.0 6.228715428730e-01 6.155789771290e-01 0.0 2.729790174090e-01 -6.859065500670e-01
|
||||
5*0.0 -6.045517461090e-01 -4.768349898720e-02 0.0 -8.592767330520e-01 8.505367066910e-01 5*0.0 6.220918376890e-01 6.158940058860e-01 0.0 2.816976521780e-01 -6.838378419430e-01
|
||||
5*0.0 -6.375443397110e-01 -7.262491078030e-02 0.0 -8.227697248180e-01 8.328624727320e-01 5*0.0 6.209685792480e-01 6.161403327510e-01 0.0 2.901391476800e-01 -6.816563740950e-01
|
||||
5*0.0 -6.670989924390e-01 -9.679080756210e-02 0.0 -7.867246836640e-01 8.139673224560e-01 5*0.0 6.194860974370e-01 6.163118967940e-01 0.0 2.983247688570e-01 -6.793764099060e-01
|
||||
5*0.0 -6.932660136520e-01 -1.201376591500e-01 0.0 -7.515020569530e-01 7.943079892800e-01 5*0.0 6.176308632570e-01 6.164030229590e-01 0.0 3.062749950580e-01 -6.770119158500e-01
|
||||
5*0.0 -7.161178172880e-01 -1.426310053860e-01 0.0 -7.173973212090e-01 7.742756176820e-01 5*0.0 6.153914489700e-01 6.164084294910e-01 0.0 3.140093617430e-01 -6.745763774670e-01
|
||||
5*0.0 -7.357449478670e-01 -1.642445206120e-01 0.0 -6.846480845110e-01 7.542012273790e-01 5*0.0 6.127584738300e-01 6.163232319600e-01 0.0 3.215463374180e-01 -6.720826529500e-01
|
||||
5*0.0 -7.522525852840e-01 -1.849591454840e-01 0.0 -6.534407511550e-01 7.343613133650e-01 5*0.0 6.097245378060e-01 6.161429442720e-01 0.0 3.289032318680e-01 -6.695428600530e-01
|
||||
5*0.0 -7.657574965400e-01 -2.047622834870e-01 0.0 -6.239167173940e-01 7.149833927840e-01 5*0.0 6.062841455070e-01 6.158634769960e-01 0.0 3.360961318830e-01 -6.669682922390e-01
|
||||
5*0.0 -7.763853757550e-01 -2.236470660770e-01 0.0 -5.961780814000e-01 6.962513650050e-01 5*0.0 6.024336223960e-01 6.154811333700e-01 0.0 3.431398610870e-01 -6.643693601970e-01
|
||||
5*0.0 -7.842685473050e-01 -2.416116779550e-01 0.0 -5.702928645200e-01 6.783105940820e-01 5*0.0 5.981710250910e-01 6.149926032710e-01 0.0 3.500479606260e-01 -6.617555551580e-01
|
||||
5*0.0 -7.895439804990e-01 -2.586587437690e-01 0.0 -5.462997550590e-01 6.612726559570e-01 5*0.0 5.934960473800e-01 6.143949554380e-01 0.0 3.568326877490e-01 -6.591354307380e-01
|
||||
5*0.0 -7.923515913850e-01 -2.747947684160e-01 0.0 -5.242123882480e-01 6.452197176910e-01 5*0.0 5.884099234070e-01 6.136856282240e-01 0.0 3.635050296040e-01 -6.565166003680e-01
|
||||
5*0.0 -7.928327815490e-01 -2.900296324900e-01 0.0 -5.040231911290e-01 6.302085397810e-01 5*0.0 5.829153293220e-01 6.128624190960e-01 0.0 3.700747297430e-01 -6.539057476520e-01
|
||||
5*0.0 -7.911292007950e-01 -3.043761335860e-01 0.0 -4.857068110790e-01 6.162740981410e-01 5*0.0 5.770162844880e-01 6.119234731230e-01 0.0 3.765503251320e-01 -6.513086473200e-01
|
||||
5*0.0 -7.873816980400e-01 -3.178495728200e-01 0.0 -4.692231642280e-01 6.034328412020e-01 5*0.0 5.707180531940e-01 6.108672706480e-01 0.0 3.829391916490e-01 -6.487301947140e-01
|
||||
5*0.0 -7.817294319350e-01 -3.304673831130e-01 0.0 -4.545201273380e-01 5.916855978340e-01 5*0.0 5.640270477260e-01 6.096926143040e-01 0.0 3.892475962530e-01 -6.461744419830e-01
|
||||
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5*0.0 3.396280645400e-02 -4.757815817230e-03 0.0 -2.814998174960e-02 1.372177437700e-02 5*0.0 -3.871057348810e-02 4.364568039370e-03 0.0 2.404808317130e-02 -1.011871096210e-02
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5*0.0 3.253667955280e-02 -4.490185371060e-03 0.0 -2.672794593650e-02 1.295728984840e-02 5*0.0 -3.671789172350e-02 4.068285818320e-03 0.0 2.261966393800e-02 -9.476325154520e-03
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5*0.0 3.184163912700e-02 -4.361489395900e-03 0.0 -2.604009725330e-02 1.258951778030e-02 5*0.0 -3.575155996590e-02 3.926877529900e-03 0.0 2.193222354790e-02 -9.169038629680e-03
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5*0.0 3.115843190820e-02 -4.236102876660e-03 0.0 -2.536733605340e-02 1.223111532570e-02 5*0.0 -3.480489386330e-02 3.789802437910e-03 0.0 2.126217194630e-02 -8.870730928370e-03
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5*0.0 3.048692127530e-02 -4.113950226980e-03 0.0 -2.470939724410e-02 1.188187904910e-02 5*0.0 -3.387763698710e-02 3.656947172640e-03 0.0 2.060917104670e-02 -8.581187706920e-03
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5*0.0 2.982697066140e-02 -3.994957384820e-03 0.0 -2.406601886580e-02 1.154160903300e-02 5*0.0 -3.296953223180e-02 3.528200830630e-03 0.0 1.997288675210e-02 -8.300198372990e-03
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5*0.0 2.854120380330e-02 -3.766162335160e-03 0.0 -2.282191125230e-02 1.088718547490e-02 5*0.0 -3.120974826030e-02 3.282603389950e-03 0.0 1.874915171400e-02 -7.763057588270e-03
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5*0.0 2.791511515570e-02 -3.656219385920e-03 0.0 -2.222067379210e-02 1.057264934810e-02 5*0.0 -3.035755290820e-02 3.165542451090e-03 0.0 1.816105297730e-02 -7.506503455870e-03
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5*0.0 2.610239918680e-02 -3.343394207980e-03 0.0 -2.049724337990e-02 9.677518751850e-03 5*0.0 -2.790865551510e-02 2.836100136380e-03 0.0 1.648802979690e-02 -6.782566329870e-03
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5*0.0 2.494719582380e-02 -3.148362451650e-03 0.0 -1.941276791880e-02 9.119375076320e-03 5*0.0 -2.636322030200e-02 2.633624855900e-03 0.0 1.544565578470e-02 -6.336167694830e-03
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5*0.0 2.438517313860e-02 -3.054713661310e-03 0.0 -1.888916299160e-02 8.851366760580e-03 5*0.0 -2.561588066900e-02 2.537255215350e-03 0.0 1.494545710000e-02 -6.123291188500e-03
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5*0.0 2.383335834200e-02 -2.963562203950e-03 0.0 -1.837767135780e-02 8.590510619210e-03 5*0.0 -2.488511853120e-02 2.444012316060e-03 0.0 1.445885847630e-02 -5.917062397890e-03
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5*0.0 2.024538463870e-02 -2.390625470930e-03 0.0 -1.511767447420e-02 6.951402533490e-03 5*0.0 -2.021267979350e-02 1.871851519400e-03 0.0 1.140972183990e-02 -4.645620700550e-03
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5*0.0 7.548843263860e-03 -6.785002455130e-04 0.0 -4.731624529970e-03 2.083833617700e-03 5*0.0 -5.312909446470e-03 3.884991004950e-04 0.0 2.668019272660e-03 -1.277137794160e-03
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5*0.0 7.336045498860e-03 -6.548940457350e-04 0.0 -4.578123557580e-03 2.017559259600e-03 5*0.0 -5.097299230070e-03 3.722402566870e-04 0.0 2.558685562970e-03 -1.238868456350e-03
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5*0.0 7.128146229980e-03 -6.320343779690e-04 0.0 -4.429060334930e-03 1.953422519460e-03 5*0.0 -4.888345309860e-03 3.566909399190e-04 0.0 2.453513412180e-03 -1.202180975600e-03
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5*0.0 5.299719614820e-03 -4.402204157210e-04 0.0 -3.160289407490e-03 1.417025900010e-03 5*0.0 -3.132260357640e-03 2.350328056150e-04 0.0 1.605319783950e-03 -9.106919575330e-04
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5*0.0 4.984443094060e-03 -4.089543219220e-04 0.0 -2.950033387280e-03 1.329911781180e-03 5*0.0 -2.846521840220e-03 2.169780866860e-04 0.0 1.474553528350e-03 -8.663570432330e-04
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5*0.0 4.684514549990e-03 -3.797499822520e-04 0.0 -2.752640981900e-03 1.248623488910e-03 5*0.0 -2.580163474060e-03 2.006619480230e-04 0.0 1.354926303080e-03 -8.258779207570e-04
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5*0.0 4.540120724030e-03 -3.658839732060e-04 0.0 -2.658565671140e-03 1.210054942000e-03 5*0.0 -2.453945881870e-03 1.931137863740e-04 0.0 1.299067594720e-03 -8.069889921540e-04
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5*0.0 4.399343898580e-03 -3.524897409960e-04 0.0 -2.567465984610e-03 1.172814127000e-03 5*0.0 -2.332210653120e-03 1.859508406650e-04 0.0 1.245731264100e-03 -7.889519722070e-04
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5*0.0 4.262112876990e-03 -3.395534826200e-04 0.0 -2.479265199340e-03 1.136860365820e-03 5*0.0 -2.214841530330e-03 1.791576973600e-04 0.0 1.194834262750e-03 -7.717318718830e-04
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5*0.0 4.128357476560e-03 -3.270617416930e-04 0.0 -2.393888166880e-03 1.102154012590e-03 5*0.0 -2.101724441840e-03 1.727194300230e-04 0.0 1.146295593540e-03 -7.552947875140e-04
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5*0.0 3.998008523720e-03 -3.150014017230e-04 0.0 -2.311261288980e-03 1.068656432440e-03 5*0.0 -1.992747479480e-03 1.666215866540e-04 0.0 1.100036273610e-03 -7.396078752030e-04
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5*0.0 3.870997846440e-03 -3.033596778840e-04 0.0 -2.231312493730e-03 1.036329980670e-03 5*0.0 -1.887800875700e-03 1.608501772870e-04 0.0 1.055979297590e-03 -7.246393256750e-04
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5*0.0 3.747258266040e-03 -2.921241097640e-04 0.0 -2.153971211830e-03 1.005137981820e-03 5*0.0 -1.786776980570e-03 1.553916618700e-04 0.0 1.014049601290e-03 -7.103583395370e-04
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5*0.0 3.626723592860e-03 -2.812825548050e-04 0.0 -2.079168353020e-03 9.750447098650e-04 5*0.0 -1.689570238340e-03 1.502329383850e-04 0.0 9.741740255810e-04 -6.967351029500e-04
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5*0.0 3.509328617260e-03 -2.708231806520e-04 0.0 -2.006836282500e-03 9.460153678970e-04 5*0.0 -1.596077163870e-03 1.453613312530e-04 0.0 9.362812807910e-04 -6.837407637270e-04
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5*0.0 3.395009103680e-03 -2.607344586000e-04 0.0 -1.936908798030e-03 9.180160687570e-04 5*0.0 -1.506196318690e-03 1.407645799610e-04 0.0 9.003019113720e-04 -6.713474078310e-04
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5*0.0 3.283701782760e-03 -2.510051571830e-04 0.0 -1.869321106620e-03 8.910138155770e-04 5*0.0 -1.419828287000e-03 1.364308279690e-04 0.0 8.661682609880e-04 -6.595280362820e-04
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5*0.0 3.175344345960e-03 -2.416243352550e-04 0.0 -1.804009801820e-03 8.649764832360e-04 5*0.0 -1.336875651300e-03 1.323486118280e-04 0.0 8.338144379600e-04 -6.482565424850e-04
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5*0.0 3.069875433400e-03 -2.325813350920e-04 0.0 -1.740912841650e-03 8.398727988780e-04 5*0.0 -1.257242968070e-03 1.285068505820e-04 0.0 8.031762811160e-04 -6.375076899460e-04
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5*0.0 2.967234632240e-03 -2.238657770660e-04 0.0 -1.679969525450e-03 8.156723245310e-04 5*0.0 -1.180836743060e-03 1.248948353550e-04 0.0 7.741913260030e-04 -6.272570903920e-04
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5*0.0 2.770200375960e-03 -2.073768173640e-04 0.0 -1.564307600490e-03 7.698633162060e-04 5*0.0 -1.037339288920e-03 1.183190072580e-04 0.0 7.209394469550e-04 -6.081572097770e-04
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5*0.0 2.675690743500e-03 -1.995839883940e-04 0.0 -1.509474101560e-03 7.481979169700e-04 5*0.0 -9.700705948820e-04 1.153355468680e-04 0.0 6.965557793440e-04 -5.992632019310e-04
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5*0.0 1.864442900670e-03 -1.361059108190e-04 0.0 -1.058377261590e-03 5.708194500310e-04 5*0.0 -4.420174149880e-04 9.459012006550e-05 0.0 5.222934058850e-04 -5.296593101570e-04
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5*0.0 8.996358307790e-04 -7.049435531590e-05 0.0 -5.831625518240e-04 3.806850137950e-04 5*0.0 1.522851095510e-05 8.275383291910e-05 0.0 4.233490792740e-04 -4.565387417020e-04
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|
||||
5*0.0 1.786216197310e-05 -2.450587943800e-05 0.0 -2.748821508320e-04 1.388734709100e-04 5*0.0 -2.528755089240e-04 6.536643467090e-05 0.0 5.271679420230e-04 -1.935255074290e-04
|
||||
5*0.0 1.875209954900e-05 -2.441670043860e-05 0.0 -2.746271952650e-04 1.367251909230e-04 5*0.0 -2.583000105590e-04 6.469775811720e-05 0.0 5.254636270400e-04 -1.893214772090e-04
|
||||
5*0.0 1.972427281450e-05 -2.432595558990e-05 0.0 -2.743476681350e-04 1.345755902790e-04 5*0.0 -2.635971180780e-04 6.402071653390e-05 0.0 5.236525446230e-04 -1.851182060970e-04
|
||||
5*0.0 2.077357810070e-05 -2.423348950390e-05 0.0 -2.740420485580e-04 1.324246739680e-04 5*0.0 -2.687653769930e-04 6.333562782400e-05 0.0 5.217360916600e-04 -1.809167440760e-04
|
||||
5*0.0 2.189507454450e-05 -2.413915827910e-05 0.0 -2.737089159650e-04 1.302724725530e-04 5*0.0 -2.738034894370e-04 6.264281010900e-05 0.0 5.197157131400e-04 -1.767181328120e-04
|
||||
5*0.0 2.308398262320e-05 -2.404282921460e-05 0.0 -2.733469470840e-04 1.281190410890e-04 5*0.0 -2.787103086420e-04 6.194258140190e-05 0.0 5.175928991360e-04 -1.725234049190e-04
|
||||
5*0.0 2.433568057690e-05 -2.394438042000e-05 0.0 -2.729549121850e-04 1.259644576560e-04 5*0.0 -2.834848336020e-04 6.123525930960e-05 0.0 5.153691818890e-04 -1.683335832590e-04
|
||||
5*0.0 2.564570056720e-05 -2.384370070650e-05 0.0 -2.725316725710e-04 1.238088221860e-04 5*0.0 -2.881262037890e-04 6.052116073560e-05 0.0 5.130461329800e-04 -1.641496802840e-04
|
||||
5*0.0 2.700972268090e-05 -2.374068812270e-05 0.0 -2.720761768950e-04 1.216522551860e-04 5*0.0 -2.926336940930e-04 5.980060161290e-05 0.0 5.106253605980e-04 -1.599726974090e-04
|
||||
5*0.0 2.842357654020e-05 -2.363525100730e-05 0.0 -2.715874583440e-04 1.194948966160e-04 5*0.0 -2.970067097760e-04 5.907389663100e-05 0.0 5.081085069000e-04 -1.558036244330e-04
|
||||
5*0.0 2.988323118420e-05 -2.352730623080e-05 0.0 -2.710646318320e-04 1.173369045480e-04 5*0.0 -3.012447816560e-04 5.834135899460e-05 0.0 5.054972454530e-04 -1.516434389810e-04
|
||||
5*0.0 3.138479714580e-05 -2.341677964360e-05 0.0 -2.705068910700e-04 1.151784542900e-04 5*0.0 -3.053475613460e-04 5.760330018610e-05 0.0 5.027932787650e-04 -1.474931059940e-04
|
||||
5*0.0 3.292452092400e-05 -2.330360566890e-05 0.0 -2.699135055590e-04 1.130197372640e-04 5*0.0 -3.093148166270e-04 5.686002973880e-05 0.0 4.999983359000e-04 -1.433535772360e-04
|
||||
5*0.0 3.449878232060e-05 -2.318772661700e-05 0.0 -2.692838177390e-04 1.108609599220e-04 5*0.0 -3.131464269500e-04 5.611185502870e-05 0.0 4.971141701710e-04 -1.392257908520e-04
|
||||
5*0.0 3.610408926210e-05 -2.306909222700e-05 0.0 -2.686172411750e-04 1.087023427390e-04 5*0.0 -3.168423790370e-04 5.535908107220e-05 0.0 4.941425569160e-04 -1.351106709330e-04
|
||||
5*0.0 3.773707721860e-05 -2.294766010770e-05 0.0 -2.679132569380e-04 1.065441191920e-04 5*0.0 -3.204027626050e-04 5.460201033710e-05 0.0 4.910852913530e-04 -1.310091271360e-04
|
||||
5*0.0 3.939450441510e-05 -2.282339433160e-05 0.0 -2.671714117060e-04 1.043865350580e-04 5*0.0 -3.238277662110e-04 5.384094256800e-05 0.0 4.879441865040e-04 -1.269220543110e-04
|
||||
5*0.0 4.107324994330e-05 -2.269626600640e-05 0.0 -2.663913148380e-04 1.022298473520e-04 5*0.0 -3.271176731610e-04 5.307617461170e-05 0.0 4.847210711980e-04 -1.228503321690e-04
|
||||
5*0.0 4.277030934940e-05 -2.256625268460e-05 0.0 -2.655726365850e-04 1.000743233800e-04 5*0.0 -3.302728575890e-04 5.230800026770e-05 0.0 4.814177881420e-04 -1.187948249690e-04
|
||||
5*0.0 4.448279272310e-05 -2.243333770100e-05 0.0 -2.647151051350e-04 9.792024013180e-05 5*0.0 -3.332937805910e-04 5.153671013430e-05 0.0 4.780361920700e-04 -1.147563812390e-04
|
||||
5*0.0 4.620792218180e-05 -2.229751053640e-05 0.0 -2.638185045490e-04 9.576788330520e-05 5*0.0 -3.361809864840e-04 5.076259147360e-05 0.0 4.745781479500e-04 -1.107358335100e-04
|
||||
501
tests/DFTB/nonscc/oc
Normal file
501
tests/DFTB/nonscc/oc
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, 0.015256 0.228568 -0.321372 0.367658 -0.182471 0.043752 2*0.0 3.29, 3.3, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 1.239102479630e+00 1.832610731040e+00 0.0 3.744770556340e-02 1.400536196500e+00 5*0.0 -7.814745432690e-01 -9.074107134870e-01 0.0 -2.208706061550e-01 -8.618547720650e-01
|
||||
5*0.0 1.171683039720e+00 1.802741272210e+00 0.0 7.205308884590e-02 1.348872531750e+00 5*0.0 -7.639346544810e-01 -9.009980857350e-01 0.0 -2.325057698730e-01 -8.563285548860e-01
|
||||
5*0.0 1.104851528740e+00 1.772535315140e+00 0.0 1.074311638420e-01 1.302597324260e+00 5*0.0 -7.459233330430e-01 -8.943602927000e-01 0.0 -2.441123575850e-01 -8.508448417940e-01
|
||||
5*0.0 1.038793625500e+00 1.742066429570e+00 0.0 1.433226033270e-01 1.261328155960e+00 5*0.0 -7.274797747610e-01 -8.875070605970e-01 0.0 -2.556738510640e-01 -8.454105942110e-01
|
||||
5*0.0 9.736735826390e-01 1.711403209440e+00 0.0 1.794907058400e-01 1.224682605120e+00 5*0.0 -7.086426201670e-01 -8.804481165600e-01 0.0 -2.671737074680e-01 -8.400306819710e-01
|
||||
5*0.0 9.096356484300e-01 1.680609438280e+00 0.0 2.157208195190e-01 1.192284004580e+00 5*0.0 -6.894498556670e-01 -8.731931642270e-01 0.0 -2.785954794000e-01 -8.347081133170e-01
|
||||
5*0.0 8.468054828480e-01 1.649744273180e+00 0.0 2.518195057210e-01 1.163765825750e+00 5*0.0 -6.699387267410e-01 -8.657518613990e-01 0.0 -2.899229217750e-01 -8.294442536560e-01
|
||||
5*0.0 7.852915428190e-01 1.618862438590e+00 0.0 2.876135612830e-01 1.138774934440e+00 5*0.0 -6.501456624720e-01 -8.581337996480e-01 0.0 -3.011400858990e-01 -8.242390325200e-01
|
||||
5*0.0 7.251864245280e-01 1.588014427100e+00 0.0 3.229489266400e-01 1.116973933590e+00 5*0.0 -6.301062104430e-01 -8.503484858030e-01 0.0 -3.122314018870e-01 -8.190911375900e-01
|
||||
5*0.0 6.665681461110e-01 1.557246705260e+00 0.0 3.576895293120e-01 1.098042756160e+00 5*0.0 -6.098549812720e-01 -8.424053251720e-01 0.0 -3.231817498940e-01 -8.139981954040e-01
|
||||
5*0.0 6.095013747990e-01 1.526601918510e+00 0.0 3.917161036470e-01 1.081679661910e+00 5*0.0 -5.894256019380e-01 -8.343136064340e-01 0.0 -3.339765213800e-01 -8.089569384670e-01
|
||||
5*0.0 5.540385834430e-01 1.496119096280e+00 0.0 4.249249981810e-01 1.067601753880e+00 5*0.0 -5.688506771940e-01 -8.260824880780e-01 0.0 -3.446016707460e-01 -8.039633589530e-01
|
||||
5*0.0 5.002211411830e-01 1.465833852660e+00 0.0 4.572270059970e-01 1.055545117990e+00 5*0.0 -5.481617584200e-01 -8.177209862920e-01 0.0 -3.550437583970e-01 -7.990128491560e-01
|
||||
5*0.0 4.480803364530e-01 1.435778583260e+00 0.0 4.885462214620e-01 1.045264662070e+00 5*0.0 -5.273893191480e-01 -8.092379642200e-01 0.0 -3.652899859260e-01 -7.941003292020e-01
|
||||
5*0.0 3.976383296550e-01 1.405982656280e+00 0.0 5.188189446190e-01 1.036533730050e+00 5*0.0 -5.065627367860e-01 -8.006421224790e-01 0.0 -3.753282240830e-01 -7.892203624510e-01
|
||||
5*0.0 3.489090419090e-01 1.376472597000e+00 0.0 5.479926327380e-01 1.029143548780e+00 5*0.0 -4.857102798700e-01 -7.919419908680e-01 0.0 -3.851470342630e-01 -7.843672591840e-01
|
||||
5*0.0 3.018989794770e-01 1.347272265220e+00 0.0 5.760249070460e-01 1.022902544350e+00 5*0.0 -4.648591003620e-01 -7.831459211740e-01 0.0 -3.947356840640e-01 -7.795351692870e-01
|
||||
5*0.0 2.566079970630e-01 1.318403025590e+00 0.0 6.028826193870e-01 1.017635573820e+00 5*0.0 -4.440352305170e-01 -7.742620809940e-01 0.0 -4.040841575350e-01 -7.747181644990e-01
|
||||
5*0.0 2.130300024740e-01 1.289883910420e+00 0.0 6.285409796040e-01 1.013183098070e+00 5*0.0 -4.232635838070e-01 -7.652984485100e-01 0.0 -4.131831607180e-01 -7.699103109440e-01
|
||||
5*0.0 1.711536095580e-01 1.261731774450e+00 0.0 6.529827346330e-01 1.009400322060e+00 5*0.0 -4.025679595450e-01 -7.562628081410e-01 0.0 -4.220241229150e-01 -7.651057326370e-01
|
||||
5*0.0 1.309627363950e-01 1.233961442460e+00 0.0 6.761974123960e-01 1.006156320450e+00 5*0.0 -3.819710507720e-01 -7.471627469960e-01 0.0 -4.305991941750e-01 -7.602986665990e-01
|
||||
5*0.0 9.243715776100e-02 1.206585849120e+00 0.0 6.981806210880e-01 1.003333162110e+00 5*0.0 -3.614944550800e-01 -7.380056520840e-01 0.0 -4.389012394290e-01 -7.554835102810e-01
|
||||
5*0.0 5.555301301900e-02 1.179616171360e+00 0.0 7.189333954700e-01 1.000825049170e+00 5*0.0 -3.411586880120e-01 -7.287987082080e-01 0.0 -4.469238297290e-01 -7.506548618630e-01
|
||||
5*0.0 2.028327156530e-02 1.153061953630e+00 0.0 7.384616009250e-01 9.985374734610e-01 5*0.0 -3.209831987640e-01 -7.195488964910e-01 0.0 -4.546612308580e-01 -7.458075540520e-01
|
||||
5*0.0 -1.340184044900e-02 1.126931226770e+00 0.0 7.567753835350e-01 9.963864013590e-01 5*0.0 -3.009863877820e-01 -7.102629934820e-01 0.0 -4.621083897280e-01 -7.409366822210e-01
|
||||
5*0.0 -4.553444765320e-02 1.101230618770e+00 0.0 7.738886586060e-01 9.942974914840e-01 5*0.0 -2.811856263300e-01 -7.009475707950e-01 0.0 -4.692609188300e-01 -7.360376267040e-01
|
||||
5*0.0 -7.614867073860e-02 1.075965461450e+00 0.0 7.898186540980e-01 9.922053435190e-01 5*0.0 -2.615972773170e-01 -6.916089952390e-01 0.0 -4.761150789930e-01 -7.311060707280e-01
|
||||
5*0.0 -1.052802955150e-01 1.051139887710e+00 0.0 8.045854802110e-01 9.900527874080e-01 5*0.0 -2.422367174790e-01 -6.822534293800e-01 0.0 -4.826677608550e-01 -7.261380138120e-01
|
||||
5*0.0 -1.329664769980e-01 1.026756926330e+00 0.0 8.182117414340e-01 9.877902077440e-01 5*0.0 -2.231183607470e-01 -6.728868325160e-01 0.0 -4.889164650500e-01 -7.211297812010e-01
|
||||
5*0.0 -1.592454661180e-01 1.002818588580e+00 0.0 8.307221842210e-01 9.853749074810e-01 5*0.0 -2.042556823740e-01 -6.635149620140e-01 0.0 -4.948592815080e-01 -7.160780299550e-01
|
||||
5*0.0 -1.841563647900e-01 9.793259512590e-01 0.0 8.421433678380e-01 9.827705085020e-01 5*0.0 -1.856612438500e-01 -6.541433749730e-01 0.0 -5.004948679170e-01 -7.109797519020e-01
|
||||
5*0.0 -2.077388996300e-01 9.562792334260e-01 0.0 8.525033768020e-01 9.799463896800e-01 5*0.0 -1.673467183850e-01 -6.447774302010e-01 0.0 -5.058224277310e-01 -7.058322738610e-01
|
||||
5*0.0 -2.300332187670e-01 9.336778687500e-01 0.0 8.618315474860e-01 9.768771624480e-01 5*0.0 -1.493229168240e-01 -6.354222904360e-01 0.0 -5.108416876120e-01 -7.006332555140e-01
|
||||
5*0.0 -2.510797099210e-01 9.115205738190e-01 0.0 8.701582265920e-01 9.735421794850e-01 5*0.0 -1.315998138800e-01 -6.260829248250e-01 0.0 -5.155528746120e-01 -6.953806852070e-01
|
||||
5*0.0 -2.709188339050e-01 8.898054112960e-01 0.0 8.775145482960e-01 9.699250780500e-01 5*0.0 -1.141865745320e-01 -6.167641116110e-01 0.0 -5.199566932870e-01 -6.900728739110e-01
|
||||
5*0.0 -2.895909772530e-01 8.685298497370e-01 0.0 8.839322395690e-01 9.660133557460e-01 5*0.0 -9.709158055410e-02 -6.074704410010e-01 0.0 -5.240543026020e-01 -6.847084477280e-01
|
||||
5*0.0 -3.071363185900e-01 8.476908188360e-01 0.0 8.894434341870e-01 9.617979772340e-01 5*0.0 -8.032245698740e-02 -5.982063182090e-01 0.0 -5.278472930250e-01 -6.792863390170e-01
|
||||
5*0.0 -3.235947112360e-01 8.272847615730e-01 0.0 8.940805158680e-01 9.572730096480e-01 5*0.0 -6.388609857000e-02 -5.889759666420e-01 0.0 -5.313376636660e-01 -6.738057764840e-01
|
||||
5*0.0 -3.390055787290e-01 8.073076827600e-01 0.0 8.978759692810e-01 9.524352856980e-01 5*0.0 -4.778869598740e-02 -5.797834312010e-01 0.0 -5.345277997280e-01 -6.682662743660e-01
|
||||
5*0.0 -3.534078222710e-01 7.877551941420e-01 0.0 9.008622511310e-01 9.472840938500e-01 5*0.0 -3.203576186630e-02 -5.706325817050e-01 0.0 -5.374204501660e-01 -6.626676208800e-01
|
||||
5*0.0 -3.668397399170e-01 7.686225564930e-01 0.0 9.030716741750e-01 9.418208921790e-01 5*0.0 -1.663215653690e-02 -5.615271163880e-01 0.0 -5.400187057520e-01 -6.570098661230e-01
|
||||
5*0.0 -3.793389575770e-01 7.499047190960e-01 0.0 9.045363041160e-01 9.360490458110e-01 5*0.0 -1.582113399250e-03 -5.524705654820e-01 0.0 -5.423259775350e-01 -6.512933095330e-01
|
||||
5*0.0 -3.909423676140e-01 7.315963559250e-01 0.0 9.052878673310e-01 9.299735864390e-01 5*0.0 1.311073606820e-02 -5.434662948560e-01 0.0 -5.443459757450e-01 -6.455184870600e-01
|
||||
5*0.0 -4.016860786660e-01 7.136918998020e-01 0.0 9.053576726670e-01 9.236009915790e-01 5*0.0 2.744333771310e-02 -5.345175096990e-01 0.0 -5.460826892030e-01 -6.396861581400e-01
|
||||
5*0.0 -4.116053718030e-01 6.961855735380e-01 0.0 9.047765401450e-01 9.169389836130e-01 5*0.0 4.141319060220e-02 -5.256272582460e-01 0.0 -5.475403652780e-01 -6.337972925690e-01
|
||||
5*0.0 -4.207346665680e-01 6.790714194920e-01 0.0 9.035747410760e-01 9.099963460070e-01 5*0.0 5.501832337710e-02 -5.167984355200e-01 0.0 -5.487234903530e-01 -6.278530573830e-01
|
||||
5*0.0 -4.291074912640e-01 6.623433260520e-01 0.0 9.017819456480e-01 9.027827568780e-01 5*0.0 6.825727112390e-02 -5.080337870920e-01 0.0 -5.496367709140e-01 -6.218548037980e-01
|
||||
5*0.0 -4.367564624230e-01 6.459950531130e-01 0.0 8.994271783260e-01 8.953086367880e-01 5*0.0 8.112905275180e-02 -4.993359128410e-01 0.0 -5.502851152020e-01 -6.158040542900e-01
|
||||
5*0.0 -4.437132670210e-01 6.300202545150e-01 0.0 8.965387819750e-01 8.875850124490e-01 5*0.0 9.363314898140e-02 -4.907072707250e-01 0.0 -5.506736154930e-01 -6.097024898380e-01
|
||||
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|
||||
5*0.0 -3.266506516210e-05 1.043559769300e-06 0.0 6.203300371720e-06 -8.204835458580e-06 5*0.0 5.917810604850e-06 1.806575891440e-06 0.0 1.030227203120e-05 2.162119277000e-05
|
||||
5*0.0 -3.111809551150e-05 9.682051215860e-07 0.0 5.616721638460e-06 -8.567778815480e-06 5*0.0 4.841833076500e-06 1.814745550830e-06 0.0 1.049378225000e-05 2.174955545680e-05
|
||||
5*0.0 -2.963202700320e-05 8.966565379190e-07 0.0 5.059281545630e-06 -8.910214131370e-06 5*0.0 3.802585934150e-06 1.820463465320e-06 0.0 1.066742840700e-05 2.186039510110e-05
|
||||
5*0.0 -2.820445090450e-05 8.287519175610e-07 0.0 4.529841047490e-06 -9.232731479510e-06 5*0.0 2.799040591940e-06 1.823828878660e-06 0.0 1.082380785140e-05 2.195407702330e-05
|
||||
5*0.0 -2.683305551920e-05 7.643362296100e-07 0.0 4.027305126430e-06 -9.535901269210e-06 5*0.0 1.830208635680e-06 1.824937840270e-06 0.0 1.096350007090e-05 2.203096187530e-05
|
||||
5*0.0 -2.551561818020e-05 7.032607622080e-07 0.0 3.550621452870e-06 -9.820274978340e-06 5*0.0 8.951398551500e-07 1.823883331010e-06 0.0 1.108706743420e-05 2.209140587050e-05
|
||||
5*0.0 -2.425000640960e-05 6.453833187480e-07 0.0 3.098778368500e-06 -1.008638611730e-05 5*0.0 -7.079636284010e-09 1.820755381940e-06 0.0 1.119505589790e-05 2.213576101760e-05
|
||||
5*0.0 -2.303417167230e-05 5.905675015480e-07 0.0 2.670803444430e-06 -1.033475097190e-05 5*0.0 -8.773291978200e-07 1.815641187320e-06 0.0 1.128799567600e-05 2.216437531400e-05
|
||||
5*0.0 -2.186614711100e-05 5.386827157690e-07 0.0 2.265761822550e-06 -1.056586937430e-05 5*0.0 -1.716455374860e-06 1.808625212820e-06 0.0 1.136640187650e-05 2.217759293410e-05
|
||||
5*0.0 -2.074404630500e-05 4.896040534790e-07 0.0 1.882754645200e-06 -1.078022554230e-05 5*0.0 -2.525273535010e-06 1.799789297910e-06 0.0 1.143077511020e-05 2.217575441000e-05
|
||||
5*0.0 -1.966605554220e-05 4.432115203470e-07 0.0 1.520917389740e-06 -1.097828870620e-05 5*0.0 -3.304569428340e-06 1.789212753150e-06 0.0 1.148160206270e-05 2.215919677940e-05
|
||||
5*0.0 -1.863043877240e-05 3.993904800080e-07 0.0 1.179419738290e-06 -1.116051381360e-05 5*0.0 -4.055100675170e-06 1.776972453310e-06 0.0 1.151935604150e-05 2.212825372960e-05
|
||||
5*0.0 -1.763552624770e-05 3.580309852340e-07 0.0 8.574622118980e-07 -1.132734230960e-05 5*0.0 -4.777598185020e-06 1.763142926000e-06 0.0 1.154449749370e-05 2.208325573120e-05
|
||||
5*0.0 -1.667971782740e-05 3.190277587750e-07 0.0 5.542761868650e-07 -1.147920251990e-05 5*0.0 -5.472767505710e-06 1.747796435140e-06 0.0 1.155747449810e-05 2.202453015180e-05
|
||||
5*0.0 -1.576147763690e-05 2.822798245170e-07 0.0 2.691224333000e-07 -1.161651042710e-05 5*0.0 -6.141290112180e-06 1.731003061760e-06 0.0 1.155872323050e-05 2.195240135780e-05
|
||||
5*0.0 -1.487933351460e-05 2.476906627120e-07 0.0 1.289770094210e-09 -1.173967020160e-05 5*0.0 -6.783824628080e-06 1.712830779690e-06 0.0 1.154866840870e-05 2.186719081970e-05
|
||||
5*0.0 -1.403187204270e-05 2.151674899330e-07 0.0 -2.499058867140e-07 -1.184907465150e-05 5*0.0 -7.401007992350e-06 1.693345528050e-06 0.0 1.152772370830e-05 2.176921717990e-05
|
||||
5*0.0 -1.321773880060e-05 1.846216590720e-07 0.0 -4.851228294410e-07 -1.194510585050e-05 5*0.0 -7.993456566930e-06 1.672611281150e-06 0.0 1.149629216440e-05 2.165879634150e-05
|
||||
5*0.0 -1.243563505900e-05 1.559681741260e-07 0.0 -7.049945335110e-07 -1.202813553260e-05 5*0.0 -8.561767186950e-06 1.650690113100e-06 0.0 1.145476654590e-05 2.153624152100e-05
|
||||
5*0.0 -1.168431497430e-05 1.291254629820e-07 0.0 -9.101305330720e-07 -1.209852559910e-05 5*0.0 -9.106518164610e-06 1.627642261510e-06 0.0 1.140352971440e-05 2.140186331430e-05
|
||||
5*0.0 -1.096258382410e-05 1.040154620620e-07 0.0 -1.101117596960e-06 -1.215662860120e-05 5*0.0 -9.628270234930e-06 1.603526186760e-06 0.0 1.134295496300e-05 2.125596973880e-05
|
||||
5*0.0 -1.026929766730e-05 8.056335502500e-08 0.0 -1.278520644670e-06 -1.220278803320e-05 5*0.0 -1.012756745880e-05 1.578398628680e-06 0.0 1.127340633570e-05 2.109886627280e-05
|
||||
5*0.0 -9.603358395680e-06 5.869725553700e-08 0.0 -1.442883471390e-06 -1.223733886810e-05 5*0.0 -1.060493807740e-05 1.552314661410e-06 0.0 1.119523893410e-05 2.093085589320e-05
|
||||
5*0.0 -8.963714617170e-06 3.834852389920e-08 0.0 -1.594729807250e-06 -1.226060783760e-05 5*0.0 -1.106089532110e-05 1.525327744550e-06 0.0 1.110879920290e-05 2.075223910160e-05
|
||||
5*0.0 -8.349357856980e-06 1.945108090990e-08 0.0 -1.734563960190e-06 -1.227291380870e-05 5*0.0 -1.149593817840e-05 1.497489773070e-06 0.0 1.101442520430e-05 2.056331394210e-05
|
||||
5*0.0 -7.759320861060e-06 1.941737218210e-09 0.0 -1.862871720130e-06 -1.227456821710e-05 5*0.0 -1.191055212130e-05 1.468851123480e-06 0.0 1.091244687690e-05 2.036437602060e-05
|
||||
5*0.0 -7.192679382790e-06 -1.424016995730e-08 0.0 -1.980121111980e-06 -1.226587518510e-05 5*0.0 -1.230520979250e-05 1.439460699820e-06 0.0 1.080318627990e-05 2.015571851470e-05
|
||||
5*0.0 -6.648545361900e-06 -2.915276229040e-08 0.0 -2.086763073150e-06 -1.224713204230e-05 5*0.0 -1.268037165870e-05 1.409365975870e-06 0.0 1.068695782470e-05 1.993763217600e-05
|
||||
5*0.0 -6.126067785360e-06 -4.285189159260e-08 0.0 -2.183232129950e-06 -1.221862950940e-05 5*0.0 -1.303648662020e-05 1.378613036290e-06 0.0 1.056406849550e-05 1.971040533070e-05
|
||||
5*0.0 -5.624432454560e-06 -5.539098486240e-08 0.0 -2.269947178290e-06 -1.218065192850e-05 5*0.0 -1.337399259650e-05 1.347246616060e-06 0.0 1.043481805810e-05 1.947432388710e-05
|
||||
5*0.0 -5.142858146310e-06 -6.682150314340e-08 0.0 -2.347311978650e-06 -1.213347767210e-05 5*0.0 -1.369331706940e-05 1.315310137360e-06 0.0 1.029949925540e-05 1.922967131200e-05
|
||||
5*0.0 -4.680596738930e-06 -7.719263482290e-08 0.0 -2.415715855690e-06 -1.207737918000e-05 5*0.0 -1.399487760420e-05 1.282845746380e-06 0.0 1.015839799660e-05 1.897672863640e-05
|
||||
5*0.0 -4.236931178170e-06 -8.655173259590e-08 0.0 -2.475534218020e-06 -1.201262339630e-05 5*0.0 -1.427908233220e-05 1.249894346120e-06 0.0 1.001179353230e-05 1.871577443280e-05
|
||||
5*0.0 -3.811174313860e-06 -9.494412912270e-08 0.0 -2.527129171430e-06 -1.193947182870e-05 5*0.0 -1.454633041290e-05 1.216495631120e-06 0.0 9.859958624790e-06 1.844708480460e-05
|
||||
5*0.0 -3.402667941820e-06 -1.024134112580e-07 0.0 -2.570850040730e-06 -1.185818085730e-05 5*0.0 -1.479701246430e-05 1.182688117160e-06 0.0 9.703159706700e-06 1.817093336690e-05
|
||||
5*0.0 -3.010781028560e-06 -1.090014232450e-07 0.0 -2.607033884970e-06 -1.176900185060e-05 5*0.0 -1.503151096800e-05 1.148509172940e-06 0.0 9.541657030590e-06 1.788759122300e-05
|
||||
5*0.0 -2.634909315370e-06 -1.147483204380e-07 0.0 -2.636005955390e-06 -1.167218141630e-05 5*0.0 -1.525020065250e-05 1.113995048050e-06 0.0 9.375704815940e-06 1.759732694920e-05
|
||||
5*0.0 -2.274473104050e-06 -1.196926384390e-07 0.0 -2.658080185580e-06 -1.156796150670e-05 5*0.0 -1.545344884910e-05 1.079180901180e-06 0.0 9.205551382980e-06 1.730040656430e-05
|
||||
5*0.0 -1.928917145040e-06 -1.238715373460e-07 0.0 -2.673559648080e-06 -1.145657967180e-05 5*0.0 -1.564161582940e-05 1.044100826970e-06 0.0 9.031439282760e-06 1.699709350750e-05
|
||||
5*0.0 -1.597709239280e-06 -1.273205108820e-07 0.0 -2.682736968050e-06 -1.133826912920e-05 5*0.0 -1.581505511970e-05 1.008787881570e-06 0.0 8.853605421960e-06 1.668764861420e-05
|
||||
5*0.0 -1.280339106400e-06 -1.300738164330e-07 0.0 -2.685894744360e-06 -1.121325888900e-05 5*0.0 -1.597411379510e-05 9.732741075640e-07 0.0 8.672281177720e-06 1.637233008190e-05
|
||||
5*0.0 -9.763178032600e-07 -1.321643076710e-07 0.0 -2.683305944400e-06 -1.108177400720e-05 5*0.0 -1.611913275570e-05 9.375905576980e-07 0.0 8.487692511060e-06 1.605139345050e-05
|
||||
5*0.0 -6.851760943010e-07 -1.336235498230e-07 0.0 -2.675234223740e-06 -1.094403559900e-05 5*0.0 -1.625044698420e-05 9.017673177010e-07 0.0 8.300060073620e-06 1.572509156690e-05
|
||||
5*0.0 -4.064643874830e-07 -1.344819789800e-07 0.0 -2.661934381580e-06 -1.080026100940e-05 5*0.0 -1.636838578620e-05 8.658335291270e-07 0.0 8.109599307690e-06 1.539367455850e-05
|
||||
5*0.0 -1.397514453540e-07 -1.347687387380e-07 0.0 -2.643652611390e-06 -1.065066388810e-05 5*0.0 -1.647327301390e-05 8.298174099450e-07 0.0 7.916520544280e-06 1.505738980330e-05
|
||||
5*0.0 1.153762875230e-07 -1.345119412550e-07 0.0 -2.620626928880e-06 -1.049545435060e-05 5*0.0 -1.656542727630e-05 7.937462758900e-07 0.0 7.721029095230e-06 1.471648190040e-05
|
||||
5*0.0 3.593155458920e-07 -1.337385254180e-07 0.0 -2.593087340040e-06 -1.033483900930e-05 5*0.0 -1.664516213210e-05 7.576465601110e-07 0.0 7.523325342390e-06 1.437119263880e-05
|
||||
5*0.0 5.924474273930e-07 -1.324745569260e-07 0.0 -2.561256268200e-06 -1.016902114650e-05 5*0.0 -1.671278627070e-05 7.215438328730e-07 0.0 7.323604821600e-06 1.402176096860e-05
|
||||
5*0.0 8.151372958140e-07 -1.307449658320e-07 0.0 -2.525348783250e-06 -9.998200703820e-06 5*0.0 -1.676860368010e-05 6.854628201720e-07 0.0 7.122058305430e-06 1.366842297310e-05
|
||||
5*0.0 1.027735759530e-06 -1.285738067230e-07 0.0 -2.485572893030e-06 -9.822574378590e-06 5*0.0 -1.681291380160e-05 6.494274218910e-07 0.0 6.918871880230e-06 1.331141183580e-05
|
||||
5*0.0 1.230579577350e-06 -1.259842352180e-07 0.0 -2.442129788080e-06 -9.642335847120e-06 5*0.0 -1.684601167380e-05 6.134607298680e-07 0.0 6.714227021910e-06 1.295095781580e-05
|
||||
5*0.0 1.423992583300e-06 -1.229985195930e-07 0.0 -2.395214078020e-06 -9.457675577900e-06 5*0.0 -1.686818806520e-05 5.775850445960e-07 0.0 6.508300668950e-06 1.258728821870e-05
|
||||
5*0.0 1.608285012540e-06 -1.196381015110e-07 0.0 -2.345014073490e-06 -9.268781113710e-06 5*0.0 -1.687972959650e-05 5.418218924140e-07 0.0 6.301265291200e-06 1.222062736730e-05
|
||||
5*0.0 1.783755912660e-06 -1.159236338160e-07 0.0 -2.291711953090e-06 -9.075837025660e-06 5*0.0 -1.688091885400e-05 5.061920414450e-07 0.0 6.093288957640e-06 1.185119657530e-05
|
||||
5*0.0 1.950691959100e-06 -1.118749758740e-07 0.0 -2.235484052290e-06 -8.879024999360e-06 5*0.0 -1.687203449290e-05 4.707155176090e-07 0.0 5.884535402290e-06 1.147921412430e-05
|
||||
5*0.0 2.109368902850e-06 -1.075112425540e-07 0.0 -2.176501010840e-06 -8.678523869560e-06 5*0.0 -1.685335133260e-05 4.354116201320e-07 0.0 5.675164086710e-06 1.110489523500e-05
|
||||
5*0.0 2.260052489230e-06 -1.028509210830e-07 0.0 -2.114927958070e-06 -8.474509671260e-06 5*0.0 -1.682514044460e-05 4.002989365980e-07 0.0 5.465330262540e-06 1.072845204540e-05
|
||||
5*0.0 2.402997923410e-06 -9.791174782880e-08 0.0 -2.050924794480e-06 -8.267155742330e-06 5*0.0 -1.678766923130e-05 3.653953576650e-07 0.0 5.255185029690e-06 1.035009358740e-05
|
||||
5*0.0 2.538451008280e-06 -9.271084346880e-08 0.0 -1.984646250080e-06 -8.056632664070e-06 5*0.0 -1.674120149970e-05 3.307180913860e-07 0.0 5.044875395960e-06 9.970025764600e-06
|
||||
5*0.0 2.666648049010e-06 -8.726466370850e-08 0.0 -1.916242171800e-06 -7.843108349830e-06 5*0.0 -1.668599752730e-05 2.962836775440e-07 0.0 4.834544332190e-06 9.588451329090e-06
|
||||
5*0.0 2.787817318400e-06 -8.158912241440e-08 0.0 -1.845857577260e-06 -7.626748105380e-06 5*0.0 -1.662231412270e-05 2.621080010790e-07 0.0 4.624330828940e-06 9.205569864990e-06
|
||||
5*0.0 2.902178163060e-06 -7.569949854500e-08 0.0 -1.773632928000e-06 -7.407714652800e-06 5*0.0 -1.655040467970e-05 2.282063060370e-07 0.0 4.414369950430e-06 8.821577771320e-06
|
||||
5*0.0 3.009942328100e-06 -6.961054497020e-08 0.0 -1.699704136640e-06 -7.186168093800e-06 5*0.0 -1.647051922790e-05 1.945932084730e-07 0.0 4.204792886690e-06 8.436668236950e-06
|
||||
5*0.0 3.111313892430e-06 -6.333646151740e-08 0.0 -1.624202858260e-06 -6.962266055200e-06 5*0.0 -1.638290447540e-05 1.612827095160e-07 0.0 3.995727007280e-06 8.051031233410e-06
|
||||
501
tests/DFTB/nonscc/oh
Normal file
501
tests/DFTB/nonscc/oh
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, -0.000308 0.189151 -0.315722 0.229454 -0.079636 0.011541 2*0.0 3.670000, 3.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
8*0.0 -6.477844507750e-01 -1.153982548740e+00 8*0.0 3.334231727590e-01 8.660401713220e-01
|
||||
8*0.0 -6.640959125100e-01 -1.158598488050e+00 8*0.0 3.470132011730e-01 8.625936225880e-01
|
||||
8*0.0 -6.790257829510e-01 -1.162169391500e+00 8*0.0 3.602093996970e-01 8.589424539570e-01
|
||||
8*0.0 -6.926243329090e-01 -1.164711599760e+00 8*0.0 3.730038599830e-01 8.550866206700e-01
|
||||
8*0.0 -7.049418953900e-01 -1.166247049100e+00 8*0.0 3.853895973460e-01 8.510265619390e-01
|
||||
8*0.0 -7.160296845280e-01 -1.166801866280e+00 8*0.0 3.973605246860e-01 8.467631811080e-01
|
||||
8*0.0 -7.259388465960e-01 -1.166405710620e+00 8*0.0 4.089114251880e-01 8.422978280380e-01
|
||||
8*0.0 -7.347202769260e-01 -1.165090984450e+00 8*0.0 4.200379245570e-01 8.376322795790e-01
|
||||
8*0.0 -7.424244197320e-01 -1.162892242870e+00 8*0.0 4.307364624110e-01 8.327687192640e-01
|
||||
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8*0.0 5.482315776500e-05 4.023694267070e-06 8*0.0 -1.615098829240e-04 -5.658843059090e-07
|
||||
8*0.0 5.480797711400e-05 2.229370460190e-06 8*0.0 -1.597073375410e-04 2.262367670320e-06
|
||||
8*0.0 5.475926933040e-05 4.455559465770e-07 8*0.0 -1.578477236330e-04 5.060734392750e-06
|
||||
8*0.0 5.467769103050e-05 -1.326884165310e-06 8*0.0 -1.559332129960e-04 7.828169554090e-06
|
||||
8*0.0 5.456389762330e-05 -3.087107868660e-06 8*0.0 -1.539659597290e-04 1.056366518100e-05
|
||||
8*0.0 5.441854723370e-05 -4.834296128030e-06 8*0.0 -1.519480993510e-04 1.326625136150e-05
|
||||
8*0.0 5.424229620020e-05 -6.567653156650e-06 8*0.0 -1.498817479650e-04 1.593499595660e-05
|
||||
8*0.0 5.403580209870e-05 -8.286405401840e-06 8*0.0 -1.477690014440e-04 1.856900428010e-05
|
||||
8*0.0 5.379972214500e-05 -9.989802584170e-06 8*0.0 -1.456119346580e-04 2.116741879070e-05
|
||||
8*0.0 5.353471403960e-05 -1.167711667110e-05 8*0.0 -1.434126007270e-04 2.372941873710e-05
|
||||
8*0.0 5.324143608030e-05 -1.334764219280e-05 8*0.0 -1.411730303140e-04 2.625421981370e-05
|
||||
8*0.0 5.292054568940e-05 -1.500069605310e-05 8*0.0 -1.388952309340e-04 2.874107378610e-05
|
||||
8*0.0 5.257270110520e-05 -1.663561738730e-05 8*0.0 -1.365811863270e-04 3.118926811320e-05
|
||||
8*0.0 5.219856017850e-05 -1.825176728710e-05 8*0.0 -1.342328558240e-04 3.359812554990e-05
|
||||
8*0.0 5.179878007650e-05 -1.984852886450e-05 8*0.0 -1.318521737710e-04 3.596700374020e-05
|
||||
8*0.0 5.137401817580e-05 -2.142530701830e-05 8*0.0 -1.294410489760e-04 3.829529479680e-05
|
||||
8*0.0 5.092493143690e-05 -2.298152828640e-05 8*0.0 -1.270013641840e-04 4.058242487580e-05
|
||||
8*0.0 5.045217532650e-05 -2.451664054380e-05 8*0.0 -1.245349755910e-04 4.282785372940e-05
|
||||
8*0.0 4.995640409560e-05 -2.603011317960e-05 8*0.0 -1.220437123810e-04 4.503107426200e-05
|
||||
8*0.0 4.943827333930e-05 -2.752143660940e-05 8*0.0 -1.195293762870e-04 4.719161206670e-05
|
||||
8*0.0 4.889843465160e-05 -2.899012222720e-05 8*0.0 -1.169937411990e-04 4.930902495530e-05
|
||||
8*0.0 4.833753954540e-05 -3.043570214060e-05 8*0.0 -1.144385527850e-04 5.138290248560e-05
|
||||
8*0.0 4.775623770610e-05 -3.185772907390e-05 8*0.0 -1.118655281450e-04 5.341286547320e-05
|
||||
8*0.0 4.715517663010e-05 -3.325577617840e-05 8*0.0 -1.092763554930e-04 5.539856550170e-05
|
||||
8*0.0 4.653500231460e-05 -3.462943677700e-05 8*0.0 -1.066726938710e-04 5.733968442500e-05
|
||||
8*0.0 4.589635812940e-05 -3.597832420940e-05 8*0.0 -1.040561728810e-04 5.923593386010e-05
|
||||
8*0.0 4.523988482330e-05 -3.730207149160e-05 8*0.0 -1.014283924450e-04 6.108705467770e-05
|
||||
8*0.0 4.456622015520e-05 -3.860033136910e-05 8*0.0 -9.879092260360e-05 6.289281649220e-05
|
||||
8*0.0 4.387599989610e-05 -3.987277578570e-05 8*0.0 -9.614530331380e-05 6.465301712990e-05
|
||||
8*0.0 4.316985594810e-05 -4.111909584070e-05 8*0.0 -9.349304430070e-05 6.636748212000e-05
|
||||
8*0.0 4.244841644130e-05 -4.233900159420e-05 8*0.0 -9.083562491240e-05 6.803606415460e-05
|
||||
8*0.0 4.171230666620e-05 -4.353222166950e-05 8*0.0 -8.817449400560e-05 6.965864256500e-05
|
||||
8*0.0 4.096214812450e-05 -4.469850314360e-05 8*0.0 -8.551106985760e-05 7.123512278670e-05
|
||||
8*0.0 4.019855737110e-05 -4.583761127080e-05 8*0.0 -8.284674009000e-05 7.276543581920e-05
|
||||
8*0.0 3.942214742240e-05 -4.694932931890e-05 8*0.0 -8.018286162720e-05 7.424953769330e-05
|
||||
8*0.0 3.863352614710e-05 -4.803345808730e-05 8*0.0 -7.752076066490e-05 7.568740893040e-05
|
||||
8*0.0 3.783329707350e-05 -4.908981589010e-05 8*0.0 -7.486173266710e-05 7.707905399820e-05
|
||||
8*0.0 3.702205959550e-05 -5.011823822350e-05 8*0.0 -7.220704237700e-05 7.842450077560e-05
|
||||
8*0.0 3.620040639040e-05 -5.111857746100e-05 8*0.0 -6.955792385730e-05 7.972380000780e-05
|
||||
8*0.0 3.536892567940e-05 -5.209070258630e-05 8*0.0 -6.691558052720e-05 8.097702476350e-05
|
||||
8*0.0 3.452820033300e-05 -5.303449912870e-05 8*0.0 -6.428118524730e-05 8.218426989170e-05
|
||||
8*0.0 3.367880674730e-05 -5.394986842650e-05 8*0.0 -6.165588040030e-05 8.334565149340e-05
|
||||
8*0.0 3.282131586880e-05 -5.483672800510e-05 8*0.0 -5.904077799550e-05 8.446130636470e-05
|
||||
8*0.0 3.195629274440e-05 -5.569501068330e-05 8*0.0 -5.643695979130e-05 8.553139147310e-05
|
||||
8*0.0 3.108429563890e-05 -5.652466472940e-05 8*0.0 -5.384547743230e-05 8.655608341180e-05
|
||||
8*0.0 3.020587667150e-05 -5.732565333380e-05 8*0.0 -5.126735260150e-05 8.753557787210e-05
|
||||
8*0.0 2.932158107680e-05 -5.809795446980e-05 8*0.0 -4.870357718760e-05 8.847008910800e-05
|
||||
8*0.0 2.843194749780e-05 -5.884156051690e-05 8*0.0 -4.615511346240e-05 8.935984940580e-05
|
||||
8*0.0 2.753750744900e-05 -5.955647802780e-05 8*0.0 -4.362289428520e-05 9.020510856110e-05
|
||||
8*0.0 2.663878522070e-05 -6.024272742700e-05 8*0.0 -4.110782330050e-05 9.100613335270e-05
|
||||
8*0.0 2.573629835400e-05 -6.090034276960e-05 8*0.0 -3.861077516490e-05 9.176320702170e-05
|
||||
8*0.0 2.483055657470e-05 -6.152937138700e-05 8*0.0 -3.613259577710e-05 9.247662876120e-05
|
||||
8*0.0 2.392206227760e-05 -6.212987360570e-05 8*0.0 -3.367410252400e-05 9.314671319230e-05
|
||||
8*0.0 2.301130945460e-05 -6.270192253100e-05 8*0.0 -3.123608453480e-05 9.377378986850e-05
|
||||
8*0.0 2.209878573800e-05 -6.324560365580e-05 8*0.0 -2.881930294830e-05 9.435820276260e-05
|
||||
8*0.0 2.118496982360e-05 -6.376101466860e-05 8*0.0 -2.642449118690e-05 9.490030976960e-05
|
||||
8*0.0 2.027033256670e-05 -6.424826503930e-05 8*0.0 -2.405235524350e-05 9.540048221160e-05
|
||||
8*0.0 1.935533686710e-05 -6.470747591630e-05 8*0.0 -2.170357397390e-05 9.585910434940e-05
|
||||
8*0.0 1.844043703850e-05 -6.513877961300e-05 8*0.0 -1.937879940280e-05 9.627657289200e-05
|
||||
8*0.0 1.752607987330e-05 -6.554231957110e-05 8*0.0 -1.707865703220e-05 9.665329652140e-05
|
||||
8*0.0 1.661270353540e-05 -6.591824980280e-05 8*0.0 -1.480374616100e-05 9.698969541810e-05
|
||||
8*0.0 1.570073722230e-05 -6.626673479010e-05 8*0.0 -1.255464021140e-05 9.728620078600e-05
|
||||
8*0.0 1.479060210110e-05 -6.658794915090e-05 8*0.0 -1.033188705990e-05 9.754325439560e-05
|
||||
8*0.0 1.388271082300e-05 -6.688207737510e-05 8*0.0 -8.136009380810e-06 9.776130812430e-05
|
||||
8*0.0 1.297746690450e-05 -6.714931339470e-05 8*0.0 -5.967504984950e-06 9.794082350060e-05
|
||||
8*0.0 1.207526595590e-05 -6.738986053080e-05 8*0.0 -3.826847173380e-06 9.808227126210e-05
|
||||
8*0.0 1.117649424350e-05 -6.760393106630e-05 8*0.0 -1.714485092790e-06 9.818613091560e-05
|
||||
8*0.0 1.028152931020e-05 -6.779174595430e-05 8*0.0 3.691559042410e-07 9.825289030090e-05
|
||||
8*0.0 9.390740339260e-06 -6.795353458260e-05 8*0.0 2.423673895120e-06 9.828304516530e-05
|
||||
8*0.0 8.504487518350e-06 -6.808953457440e-05 8*0.0 4.448690020370e-06 9.827709874340e-05
|
||||
8*0.0 7.623121891380e-06 -6.819999128990e-05 8*0.0 6.443848108160e-06 9.823556134070e-05
|
||||
8*0.0 6.746986024360e-06 -6.828515776900e-05 8*0.0 8.408814303700e-06 9.815894992500e-05
|
||||
8*0.0 5.876413353200e-06 -6.834529442490e-05 8*0.0 1.034327668640e-05 9.804778772700e-05
|
||||
8*0.0 5.011728702810e-06 -6.838066860790e-05 8*0.0 1.224694489280e-05 9.790260384870e-05
|
||||
8*0.0 4.153248072610e-06 -6.839155454750e-05 8*0.0 1.411954973350e-05 9.772393286530e-05
|
||||
8*0.0 3.301278201160e-06 -6.837823301580e-05 8*0.0 1.596084280430e-05 9.751231445510e-05
|
||||
501
tests/DFTB/nonscc/on
Normal file
501
tests/DFTB/nonscc/on
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, 0.140555 -0.109621 0.354657 -0.243372 0.086424 3*0.0 3.14, 4.0 9*0.0
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 1.360507400450e+00 2.159836307730e+00 0.0 -1.102689464880e-01 1.662829604530e+00 5*0.0 -7.716772472620e-01 -9.162931829970e-01 0.0 -1.998522451370e-01 -8.919631381200e-01
|
||||
5*0.0 1.272803205190e+00 2.119680229300e+00 0.0 -6.597031951080e-02 1.604635976700e+00 5*0.0 -7.518549353310e-01 -9.089367024500e-01 0.0 -2.111939516500e-01 -8.856563511500e-01
|
||||
5*0.0 1.186387197920e+00 2.079216469990e+00 0.0 -2.060309754270e-02 1.552985939110e+00 5*0.0 -7.315652762130e-01 -9.013371708500e-01 0.0 -2.225574835590e-01 -8.794036668780e-01
|
||||
5*0.0 1.101495201980e+00 2.038546415940e+00 0.0 2.545403703970e-02 1.507333740320e+00 5*0.0 -7.108569594700e-01 -8.935070331900e-01 0.0 -2.339210062680e-01 -8.732106375770e-01
|
||||
5*0.0 1.018331405880e+00 1.997763713970e+00 0.0 7.185916007090e-02 1.467145636030e+00 5*0.0 -6.897775986150e-01 -8.854586670660e-01 0.0 -2.452626587150e-01 -8.670804513490e-01
|
||||
5*0.0 9.370707740460e-01 1.956954602570e+00 0.0 1.183054237260e-01 1.431906125610e+00 5*0.0 -6.683736118760e-01 -8.772043506560e-01 0.0 -2.565607300780e-01 -8.610142396700e-01
|
||||
5*0.0 8.578613760770e-01 1.916198257780e+00 0.0 1.645191385790e-01 1.401122391130e+00 5*0.0 -6.466901214470e-01 -8.687562338760e-01 0.0 -2.677938163940e-01 -8.550113654570e-01
|
||||
5*0.0 7.808266179600e-01 1.875567146200e+00 0.0 2.102577245880e-01 1.374327312610e+00 5*0.0 -6.247708697100e-01 -8.601263125290e-01 0.0 -2.789409581590e-01 -8.490696905920e-01
|
||||
5*0.0 7.060673585800e-01 1.835127380980e+00 0.0 2.553076055090e-01 1.351081356020e+00 5*0.0 -6.026581510310e-01 -8.513264052830e-01 0.0 -2.899817598950e-01 -8.431858224240e-01
|
||||
5*0.0 6.336639150970e-01 1.794939073950e+00 0.0 2.994821157550e-01 1.330973582310e+00 5*0.0 -5.803927577900e-01 -8.423681333100e-01 0.0 -3.008964928070e-01 -8.373553392820e-01
|
||||
5*0.0 5.636779425720e-01 1.755056683680e+00 0.0 3.426194510530e-01 1.313621973070e+00 5*0.0 -5.580139393230e-01 -8.332629024190e-01 0.0 -3.116661816330e-01 -8.315729953270e-01
|
||||
5*0.0 4.961542021970e-01 1.715529353030e+00 0.0 3.845806916450e-01 1.298673236000e+00 5*0.0 -5.355593725750e-01 -8.240218875130e-01 0.0 -3.222726768180e-01 -8.258329054330e-01
|
||||
5*0.0 4.311222075810e-01 1.676401238950e+00 0.0 4.252479085720e-01 1.285802210930e+00 5*0.0 -5.130651432140e-01 -8.146560192080e-01 0.0 -3.326987132040e-01 -8.201287109370e-01
|
||||
5*0.0 3.685977648560e-01 1.637711828540e+00 0.0 4.645223897270e-01 1.274711000650e+00 5*0.0 -4.905657361650e-01 -8.051759724620e-01 0.0 -3.429279562970e-01 -8.144537272250e-01
|
||||
5*0.0 3.085844065600e-01 1.599496244740e+00 0.0 5.023229452060e-01 1.265127873200e+00 5*0.0 -4.680940344610e-01 -7.955921570540e-01 0.0 -3.529450372470e-01 -8.088010742270e-01
|
||||
5*0.0 2.510747168330e-01 1.561785537680e+00 0.0 5.385843492200e-01 1.256806049240e+00 5*0.0 -4.456813254770e-01 -7.859147097720e-01 0.0 -3.627355776050e-01 -8.031637909460e-01
|
||||
5*0.0 1.960515698790e-01 1.524606963820e+00 0.0 5.732558500020e-01 1.249522370470e+00 5*0.0 -4.233573136090e-01 -7.761534881640e-01 0.0 -3.722862048600e-01 -7.975349351540e-01
|
||||
5*0.0 1.434892704620e-01 1.487984252020e+00 0.0 6.062998119110e-01 1.243075936250e+00 5*0.0 -4.011501386100e-01 -7.663180657290e-01 0.0 -3.815845597500e-01 -7.919076693960e-01
|
||||
5*0.0 9.335461252510e-02 1.451937855930e+00 0.0 6.376904259010e-01 1.237286706470e+00 5*0.0 -3.790863987550e-01 -7.564177284120e-01 0.0 -3.906192962530e-01 -7.862753344100e-01
|
||||
5*0.0 4.560785340230e-02 1.416485194300e+00 0.0 6.674125286770e-01 1.231994114430e+00 5*0.0 -3.571911781990e-01 -7.464614722840e-01 0.0 -3.993800751380e-01 -7.806315110540e-01
|
||||
5*0.0 2.036138414840e-04 1.381640878140e+00 0.0 6.954604963540e-01 1.227055697310e+00 5*0.0 -3.354880778350e-01 -7.364580023060e-01 0.0 -4.078575518900e-01 -7.749700717870e-01
|
||||
5*0.0 -4.290829546460e-02 1.347416925880e+00 0.0 7.218372173400e-01 1.222345759430e+00 5*0.0 -3.139992491120e-01 -7.264157320570e-01 0.0 -4.160433596990e-01 -7.692852226610e-01
|
||||
5*0.0 -8.378211624910e-02 1.313822966690e+00 0.0 7.465531408130e-01 1.217754080300e+00 5*0.0 -2.927454302640e-01 -7.163427843420e-01 0.0 -4.239300883740e-01 -7.635715368450e-01
|
||||
5*0.0 -1.224754480050e-01 1.280866432280e+00 0.0 7.696253991570e-01 1.213184675570e+00 5*0.0 -2.717459845090e-01 -7.062469925750e-01 0.0 -4.315112596640e-01 -7.578239804820e-01
|
||||
5*0.0 -1.590486153580e-01 1.248552737500e+00 0.0 7.910769881320e-01 1.208554609620e+00 5*0.0 -2.510189397540e-01 -6.961359028660e-01 0.0 -4.387812995270e-01 -7.520379316910e-01
|
||||
5*0.0 -1.935640919200e-01 1.216885450500e+00 0.0 8.109360149370e-01 1.203792870760e+00 5*0.0 -2.305810294950e-01 -6.860167767180e-01 0.0 -4.457355082140e-01 -7.462091936350e-01
|
||||
5*0.0 -2.260859779580e-01 1.185866452410e+00 0.0 8.292350013740e-01 1.198839305370e+00 5*0.0 -2.104477345190e-01 -6.758965942820e-01 0.0 -4.523700281500e-01 -7.403340021380e-01
|
||||
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|
||||
5*0.0 -4.818651658010e-05 5.501007851380e-07 0.0 2.539602380130e-06 -2.873405918770e-05 5*0.0 8.844664359990e-05 7.731941408060e-07 0.0 6.921154333920e-06 3.832743148750e-05
|
||||
5*0.0 -4.772817186230e-05 4.509025034870e-07 0.0 1.158808493090e-06 -2.887423991820e-05 5*0.0 8.723684623210e-05 9.512494333960e-07 0.0 8.606530363990e-06 3.840639646410e-05
|
||||
5*0.0 -4.726375203860e-05 3.530507290210e-07 0.0 -2.070878939490e-07 -2.900474469630e-05 5*0.0 8.602144919390e-05 1.126103197540e-06 0.0 1.026961338500e-05 3.847396411750e-05
|
||||
5*0.0 -4.679340350500e-05 2.565495000770e-07 0.0 -1.557929849730e-06 -2.912569003390e-05 5*0.0 8.480094329860e-05 1.297764090680e-06 0.0 1.191027337280e-05 3.853029894890e-05
|
||||
5*0.0 -4.631727733860e-05 1.614023917340e-07 0.0 -2.893566271070e-06 -2.923719279720e-05 5*0.0 8.357581122070e-05 1.466241689780e-06 0.0 1.352838996310e-05 3.857556583350e-05
|
||||
5*0.0 -4.583553058150e-05 6.761282232000e-08 0.0 -4.213852157110e-06 -2.933937018860e-05 5*0.0 8.234652741890e-05 1.631546464720e-06 0.0 1.512385229940e-05 3.860992995620e-05
|
||||
5*0.0 -4.534832370430e-05 -2.481631134360e-08 0.0 -5.518648404820e-06 -2.943233976490e-05 5*0.0 8.111355807500e-05 1.793689752760e-06 0.0 1.669655887880e-05 3.863355675000e-05
|
||||
5*0.0 -4.485582233880e-05 -1.158823415810e-07 0.0 -6.807822012090e-06 -2.951621937840e-05 5*0.0 7.987736103270e-05 1.952683732150e-06 0.0 1.824641739820e-05 3.864661183410e-05
|
||||
5*0.0 -4.435819457100e-05 -2.055830581310e-07 0.0 -8.081245941580e-06 -2.959112720310e-05 5*0.0 7.863838574320e-05 2.108541398810e-06 0.0 1.977334459630e-05 3.864926095400e-05
|
||||
5*0.0 -4.385561283120e-05 -2.939165148390e-07 0.0 -9.338799265000e-06 -2.965718166310e-05 5*0.0 7.739707324270e-05 2.261276539110e-06 0.0 2.127726609710e-05 3.864166992210e-05
|
||||
5*0.0 -4.334825200590e-05 -3.808811906950e-07 0.0 -1.058036706990e-05 -2.971450146950e-05 5*0.0 7.615385610920e-05 2.410903706030e-06 0.0 2.275811625110e-05 3.862400455950e-05
|
||||
5*0.0 -4.283628945760e-05 -4.664759107450e-07 0.0 -1.180584040090e-05 -2.976320555370e-05 5*0.0 7.490915845330e-05 2.557438193920e-06 0.0 2.421583797540e-05 3.859643063950e-05
|
||||
502
tests/DFTB/nonscc/oo
Normal file
502
tests/DFTB/nonscc/oo
Normal file
|
|
@ -0,0 +1,502 @@
|
|||
0.02, 500
|
||||
0.0 -0.33800 -0.86997 0.0 3*0.0 0.0 4.0 2.0 T F
|
||||
16.00 -0.001055 0.307100 -0.707920 0.808848 -0.462370 0.135031 -0.015243 0.0, 3.610000, 3.61, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -1.448629516570e+00 -2.465664085950e+00 0.0 2.806543219370e-01 -1.885827531610e+00 5*0.0 7.520754800080e-01 9.122638439430e-01 0.0 1.768292957970e-01 8.953538551180e-01
|
||||
5*0.0 -1.340893130740e+00 -2.414660475090e+00 0.0 2.243552987720e-01 -1.824847000650e+00 5*0.0 7.304645921450e-01 9.041231456920e-01 0.0 1.878885939090e-01 8.886807680640e-01
|
||||
5*0.0 -1.235385482190e+00 -2.363445974120e+00 0.0 1.667513688100e-01 -1.771413263960e+00 5*0.0 7.084129232290e-01 8.957299615220e-01 0.0 1.990229196230e-01 8.820769697560e-01
|
||||
5*0.0 -1.132380541330e+00 -2.312151116050e+00 0.0 1.083717553170e-01 -1.724789182680e+00 5*0.0 6.859773656910e-01 8.870993027000e-01 0.0 2.102042515770e-01 8.755451052800e-01
|
||||
5*0.0 -1.032107821640e+00 -2.260895154240e+00 0.0 4.969035352940e-02 -1.684267375970e+00 5*0.0 6.632131078410e-01 8.782460141000e-01 0.0 2.214047005260e-01 8.690853394240e-01
|
||||
5*0.0 -9.347562057570e-01 -2.209786617010e+00 0.0 -8.871681989890e-03 -1.649176464350e+00 5*0.0 6.401735127170e-01 8.691847368030e-01 0.0 2.325967399040e-01 8.626957447890e-01
|
||||
5*0.0 -8.404776438920e-01 -2.158923878350e+00 0.0 -6.694300601930e-02 -1.618885153510e+00 5*0.0 6.169100211490e-01 8.599298751500e-01 0.0 2.437534053090e-01 8.563726580050e-01
|
||||
5*0.0 -7.493906828230e-01 -2.108395737560e+00 0.0 -1.241989467860e-01 -1.592804622120e+00 5*0.0 5.934720766470e-01 8.504955679340e-01 0.0 2.548484649660e-01 8.501110040730e-01
|
||||
5*0.0 -6.615838198500e-01 -2.058281995240e+00 0.0 -1.803582502710e-01 -1.570389623260e+00 5*0.0 5.699070699230e-01 8.408956634420e-01 0.0 2.658565634730e-01 8.439045892630e-01
|
||||
5*0.0 -5.771186520440e-01 -2.008654024640e+00 0.0 -2.351798024160e-01 -1.551138508910e+00 5*0.0 5.462603009280e-01 8.311436980510e-01 0.0 2.767533410430e-01 8.377463636090e-01
|
||||
5*0.0 -4.960328251000e-01 -1.959575328480e+00 0.0 -2.884593575670e-01 -1.534592488110e+00 5*0.0 5.225749564970e-01 8.212528781110e-01 0.0 2.875155304630e-01 8.316286543390e-01
|
||||
5*0.0 -4.183427711730e-01 -1.911102080570e+00 0.0 -3.400263742920e-01 -1.520334355260e+00 5*0.0 4.988921017490e-01 8.112360648360e-01 0.0 2.981210338510e-01 8.255433718550e-01
|
||||
5*0.0 -3.440462388630e-01 -1.863283648490e+00 0.0 -3.897409510030e-01 -1.507986766450e+00 5*0.0 4.752506836170e-01 8.011057619510e-01 0.0 3.085489813000e-01 8.194821900410e-01
|
||||
5*0.0 -2.731246224480e-01 -1.816163094170e+00 0.0 -4.374908863040e-01 -1.497210223210e+00 5*0.0 4.516875449330e-01 7.908741058620e-01 0.0 3.187797732940e-01 8.134367027150e-01
|
||||
5*0.0 -2.055450915240e-01 -1.769777651920e+00 0.0 -4.831889204560e-01 -1.487700813980e+00 5*0.0 4.282374476990e-01 7.805528581050e-01 0.0 3.287951087190e-01 8.073985581300e-01
|
||||
5*0.0 -1.412625388060e-01 -1.724159182920e+00 0.0 -5.267701279490e-01 -1.479188029370e+00 5*0.0 4.049331042400e-01 7.701533998790e-01 0.0 3.385780001570e-01 8.013595733270e-01
|
||||
5*0.0 -8.022134395550e-02 -1.679334605390e+00 0.0 -5.681894892780e-01 -1.471432341030e+00 5*0.0 3.818052150900e-01 7.596867284450e-01 0.0 3.481127780100e-01 7.953118302070e-01
|
||||
5*0.0 -2.235697379940e-02 -1.635326300320e+00 0.0 -6.074196367020e-01 -1.464222890750e+00 5*0.0 3.588825125840e-01 7.491634552120e-01 0.0 3.573850849200e-01 7.892477550020e-01
|
||||
5*0.0 3.240257526270e-02 -1.592152493400e+00 0.0 -6.444487681700e-01 -1.457375193230e+00 5*0.0 3.361918091670e-01 7.385938053410e-01 0.0 3.663818617690e-01 7.831601828480e-01
|
||||
5*0.0 8.413547904050e-02 -1.549827612800e+00 0.0 -6.792787379140e-01 -1.450728931620e+00 5*0.0 3.137580496200e-01 7.279876187000e-01 0.0 3.750913264960e-01 7.770424089900e-01
|
||||
5*0.0 1.329249230940e-01 -1.508362624720e+00 0.0 -7.119233020990e-01 -1.444145830800e+00 5*0.0 2.916043664120e-01 7.173543520130e-01 0.0 3.835029467910e-01 7.708882281110e-01
|
||||
5*0.0 1.788580627700e-01 -1.467765346070e+00 0.0 -7.424065232700e-01 -1.437507642890e+00 5*0.0 2.697521375260e-01 7.067030820910e-01 0.0 3.916074076740e-01 7.646919631180e-01
|
||||
5*0.0 2.220250980270e-01 -1.428040736260e+00 0.0 -7.707613183130e-01 -1.430714243990e+00 5*0.0 2.482210461380e-01 6.960425099890e-01 0.0 3.993965748410e-01 7.584484846780e-01
|
||||
5*0.0 2.625184507270e-01 -1.389191168160e+00 0.0 -7.970281464600e-01 -1.423681864420e+00 5*0.0 2.270291416320e-01 6.853809659940e-01 0.0 4.068634545640e-01 7.521532226350e-01
|
||||
5*0.0 3.004320385350e-01 -1.351216680560e+00 0.0 -8.212538193730e-01 -1.416341382730e+00 5*0.0 2.061929014790e-01 6.747264153260e-01 0.0 4.140021508690e-01 7.458021703980e-01
|
||||
5*0.0 3.358606316200e-01 -1.314115210780e+00 0.0 -8.434904417780e-01 -1.408636842850e+00 5*0.0 1.857272935580e-01 6.640864644640e-01 0.0 4.208078206120e-01 7.393918832480e-01
|
||||
5*0.0 3.688992926040e-01 -1.277882811440e+00 0.0 -8.637944533690e-01 -1.400524003000e+00 5*0.0 1.656458385600e-01 6.534683679960e-01 0.0 4.272766270240e-01 7.329194714620e-01
|
||||
5*0.0 3.996428799690e-01 -1.242513849440e+00 0.0 -8.822257740710e-01 -1.391969010140e+00 5*0.0 1.459606722080e-01 6.428790359340e-01 0.0 4.334056921940e-01 7.263825890390e-01
|
||||
5*0.0 4.281856227850e-01 -1.208001191040e+00 0.0 -8.988470416990e-01 -1.382947218010e+00 5*0.0 1.266826068960e-01 6.323250413870e-01 0.0 4.391930489590e-01 7.197794187520e-01
|
||||
5*0.0 4.546207497800e-01 -1.174336371390e+00 0.0 -9.137229352310e-01 -1.373442074140e+00 5*0.0 1.078211926590e-01 6.218126285650e-01 0.0 4.446375925420e-01 7.131086541650e-01
|
||||
5*0.0 4.790401692110e-01 -1.141509751120e+00 0.0 -9.269195812500e-01 -1.363444111300e+00 5*0.0 8.938477718670e-02 6.113477210180e-01 0.0 4.497390322860e-01 7.063694792020e-01
|
||||
5*0.0 5.015341969720e-01 -1.109510659650e+00 0.0 -9.385040209380e-01 -1.352950049660e+00 5*0.0 7.138056472280e-02 6.009359300750e-01 0.0 4.544978437590e-01 6.995615457630e-01
|
||||
5*0.0 5.221913268500e-01 -1.078327527650e+00 0.0 -9.485437492180e-01 -1.341961950700e+00 5*0.0 5.381467371250e-02 5.905825634410e-01 0.0 4.589152214740e-01 6.926849498550e-01
|
||||
5*0.0 5.410980392620e-01 -1.047948008270e+00 0.0 -9.571063103760e-01 -1.330486480060e+00 5*0.0 3.669219308420e-02 5.802926338780e-01 0.0 4.629930324230e-01 6.857402066330e-01
|
||||
5*0.0 5.583386396000e-01 -1.018359087170e+00 0.0 -9.642589439150e-01 -1.318534221520e+00 5*0.0 2.001723705510e-02 5.700708679660e-01 0.0 4.667337706130e-01 6.787282246970e-01
|
||||
5*0.0 5.739951338580e-01 -9.895471848130e-01 0.0 -9.700682783020e-01 -1.306119077370e+00 5*0.0 3.792998394000e-03 5.599217148810e-01 0.0 4.701405127250e-01 6.716502799690e-01
|
||||
5*0.0 5.881471241870e-01 -9.614982484580e-01 0.0 -9.746000743160e-01 -1.293257715900e+00 5*0.0 -1.197819992790e-02 5.498493551700e-01 0.0 4.732168750320e-01 6.645079893860e-01
|
||||
5*0.0 6.008717321050e-01 -9.341978364990e-01 0.0 -9.779189949500e-01 -1.279969085460e+00 5*0.0 -2.729485474330e-02 5.398577095020e-01 0.0 4.759669716630e-01 6.573032846780e-01
|
||||
5*0.0 6.122435436180e-01 -9.076311957140e-01 0.0 -9.800884200180e-01 -1.266273971510e+00 5*0.0 -4.215623437770e-02 5.299504473530e-01 0.0 4.783953742870e-01 6.500383863890e-01
|
||||
5*0.0 6.223345702200e-01 -8.817833304160e-01 0.0 -9.811702884560e-01 -1.252194617650e+00 5*0.0 -5.656233204460e-02 5.201309956120e-01 0.0 4.805070732720e-01 6.427157783340e-01
|
||||
5*0.0 6.312142300630e-01 -8.566390661600e-01 0.0 -9.812249667730e-01 -1.237754374390e+00 5*0.0 -7.051382096290e-02 5.104025470950e-01 0.0 4.823074403590e-01 6.353381826170e-01
|
||||
5*0.0 6.389493418960e-01 -8.321831069090e-01 0.0 -9.803111434410e-01 -1.222977396090e+00 5*0.0 -8.401201118690e-02 5.007680689400e-01 0.0 4.838021928880e-01 6.279085353390e-01
|
||||
5*0.0 6.456041318360e-01 -8.084000865170e-01 0.0 -9.784857468670e-01 -1.207888372920e+00 5*0.0 -9.705880814130e-02 4.912303108700e-01 0.0 4.849973595650e-01 6.204299630750e-01
|
||||
5*0.0 6.512402533040e-01 -7.852746156310e-01 0.0 -9.758038799930e-01 -1.192512298310e+00 5*0.0 -1.096566728570e-01 4.817918133160e-01 0.0 4.858992478020e-01 6.129057602040e-01
|
||||
5*0.0 6.559168142730e-01 -7.627913231930e-01 0.0 -9.723187745980e-01 -1.176874256570e+00 5*0.0 -1.218085838730e-01 4.724549153870e-01 0.0 4.865144126050e-01 6.053393671610e-01
|
||||
5*0.0 6.596904155160e-01 -7.409348940880e-01 0.0 -9.680817628720e-01 -1.160999256500e+00 5*0.0 -1.335180007800e-01 4.632217626790e-01 0.0 4.868496269990e-01 5.977343496290e-01
|
||||
5*0.0 6.626151942850e-01 -7.196901025400e-01 0.0 -9.631422537320e-01 -1.144912068010e+00 5*0.0 -1.447888293870e-01 4.540943149080e-01 0.0 4.869118539780e-01 5.900943787300e-01
|
||||
5*0.0 6.647428758490e-01 -6.990418419050e-01 0.0 -9.575477330390e-01 -1.128637091960e+00 5*0.0 -1.556253884620e-01 4.450743533750e-01 0.0 4.867082199470e-01 5.824232122150e-01
|
||||
5*0.0 6.661228261120e-01 -6.789751504660e-01 0.0 -9.513437663490e-01 -1.112198257720e+00 5*0.0 -1.660323780050e-01 4.361634882460e-01 0.0 4.862459896210e-01 5.747246766770e-01
|
||||
5*0.0 6.668021196330e-01 -6.594752358330e-01 0.0 -9.445740111190e-01 -1.095618915690e+00 5*0.0 -1.760148490330e-01 4.273631656500e-01 0.0 4.855325423580e-01 5.670026507750e-01
|
||||
5*0.0 6.668255932430e-01 -6.405274939300e-01 0.0 -9.372802405360e-01 -1.078921773530e+00 5*0.0 -1.855781748140e-01 4.186746745860e-01 0.0 4.845753498740e-01 5.592610494760e-01
|
||||
5*0.0 6.662359208810e-01 -6.221175274710e-01 0.0 -9.295023703590e-01 -1.062128822580e+00 5*0.0 -1.947280235120e-01 4.100991536470e-01 0.0 4.833819553080e-01 5.515038092900e-01
|
||||
5*0.0 6.650736752850e-01 -6.042311609310e-01 0.0 -9.212784886090e-01 -1.045261288140e+00 5*0.0 -2.034703322050e-01 4.016375975470e-01 0.0 4.819599535940e-01 5.437348744960e-01
|
||||
5*0.0 6.633774040400e-01 -5.868544532640e-01 0.0 -9.126449070140e-01 -1.028339603220e+00 5*0.0 -2.118112822100e-01 3.932908634680e-01 0.0 4.803169730870e-01 5.359581843250e-01
|
||||
5*0.0 6.611836989190e-01 -5.699737101410e-01 0.0 -9.036361848700e-01 -1.011383356790e+00 5*0.0 -2.197572756890e-01 3.850596772070e-01 0.0 4.784606584050e-01 5.281776610750e-01
|
||||
5*0.0 6.585272663660e-01 -5.535754920540e-01 0.0 -8.942851943460e-01 -9.944112937630e-01 5*0.0 -2.273149134800e-01 3.769446391420e-01 0.0 4.763986544430e-01 5.203971991370e-01
|
||||
5*0.0 6.554410004860e-01 -5.376466219980e-01 0.0 -8.846231524720e-01 -9.774412904710e-01 5*0.0 -2.344909740990e-01 3.689462300070e-01 0.0 4.741385914970e-01 5.126206549000e-01
|
||||
5*0.0 6.519560548070e-01 -5.221741919010e-01 0.0 -8.746796830220e-01 -9.604903541360e-01 5*0.0 -2.412923938750e-01 3.610648164840e-01 0.0 4.716880714730e-01 5.048518374940e-01
|
||||
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5*0.0 3.618301687260e-02 -5.392428460120e-03 0.0 -2.577632650650e-02 -1.561668392250e-02 5*0.0 -2.997279908060e-02 3.974251249460e-03 0.0 1.686737085490e-02 8.654319127550e-03
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5*0.0 3.522824714080e-02 -5.211387902630e-03 0.0 -2.499017477730e-02 -1.508792146100e-02 5*0.0 -2.908366271410e-02 3.826671597440e-03 0.0 1.630965107540e-02 8.342682816730e-03
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5*0.0 3.429551556520e-02 -5.036074526680e-03 0.0 -2.422589141430e-02 -1.457587861300e-02 5*0.0 -2.821712409040e-02 3.684236510510e-03 0.0 1.576855189660e-02 8.041439600360e-03
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5*0.0 3.338440002980e-02 -4.866317983010e-03 0.0 -2.348293697370e-02 -1.408006926780e-02 5*0.0 -2.737275294770e-02 3.546780852870e-03 0.0 1.524365149140e-02 7.750277808090e-03
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5*0.0 3.249448441790e-02 -4.701952716840e-03 0.0 -2.276078318260e-02 -1.360002000270e-02 5*0.0 -2.655012170980e-02 3.414144225640e-03 0.0 1.473453589140e-02 7.468893684110e-03
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5*0.0 3.162535857870e-02 -4.542817835560e-03 0.0 -2.205891281630e-02 -1.313526973460e-02 5*0.0 -2.574880572000e-02 3.286170852130e-03 0.0 1.424079895260e-02 7.196991242880e-03
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5*0.0 3.077661817930e-02 -4.388756953370e-03 0.0 -2.137681943570e-02 -1.268536950250e-02 5*0.0 -2.496838346030e-02 3.162709465170e-03 0.0 1.376204231640e-02 6.934282125230e-03
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5*0.0 2.994786489610e-02 -4.239618114900e-03 0.0 -2.071400733240e-02 -1.224988216400e-02 5*0.0 -2.420843675960e-02 3.043613196450e-03 0.0 1.329787536510e-02 6.680485454800e-03
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5*0.0 2.913870607050e-02 -4.095253639960e-03 0.0 -2.006999127660e-02 -1.182838211980e-02 5*0.0 -2.346855098750e-02 2.928739467800e-03 0.0 1.284791517280e-02 6.435327695070e-03
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5*0.0 2.757763040900e-02 -3.820277823000e-03 0.0 -1.883645802350e-02 -1.102569784400e-02 5*0.0 -2.204732249570e-02 2.711110130080e-03 0.0 1.198912149480e-02 5.969870607550e-03
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5*0.0 2.682495710160e-02 -3.689391538320e-03 0.0 -1.824602146730e-02 -1.064371792590e-02 5*0.0 -2.136516980450e-02 2.608089864440e-03 0.0 1.157956011410e-02 5.749059628640e-03
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5*0.0 2.609036530420e-02 -3.562729515030e-03 0.0 -1.767254193630e-02 -1.027413340970e-02 5*0.0 -2.070145840650e-02 2.508762622020e-03 0.0 1.118274957520e-02 5.535863977610e-03
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5*0.0 2.537349092740e-02 -3.440163842640e-03 0.0 -1.711558430880e-02 -9.916572708500e-03 5*0.0 -2.005579388470e-02 2.413005713320e-03 0.0 1.079834452830e-02 5.330044698300e-03
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5*0.0 2.467397537950e-02 -3.321570235850e-03 0.0 -1.657472301830e-02 -9.570674248800e-03 5*0.0 -1.942778628890e-02 2.320700127830e-03 0.0 1.042600693700e-02 5.131369333310e-03
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5*0.0 2.399146561390e-02 -3.206827956760e-03 0.0 -1.604954182600e-02 -9.236086301580e-03 5*0.0 -1.881705025400e-02 2.231730438890e-03 0.0 1.006540600230e-02 4.939611787530e-03
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5*0.0 2.332561410020e-02 -3.095819715010e-03 0.0 -1.553963377450e-02 -8.912466737870e-03 5*0.0 -1.822320510750e-02 2.145984710450e-03 0.0 9.716218085610e-03 4.754552192780e-03
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5*0.0 2.267607867870e-02 -2.988431564710e-03 0.0 -1.504460093660e-02 -8.599482797750e-03 5*0.0 -1.764587496820e-02 2.063354405800e-03 0.0 9.378126627940e-03 4.575976773870e-03
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5*0.0 2.204252254480e-02 -2.884552823310e-03 0.0 -1.456405429810e-02 -8.296810805820e-03 5*0.0 -1.708468883640e-02 1.983734298000e-03 0.0 9.050822067400e-03 4.403677715960e-03
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5*0.0 2.142461435390e-02 -2.784075965690e-03 0.0 -1.409761349220e-02 -8.004136089670e-03 5*0.0 -1.653928067460e-02 1.907022382320e-03 0.0 8.734001754210e-03 4.237453033350e-03
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5*0.0 2.082202777120e-02 -2.686896555710e-03 0.0 -1.364490698570e-02 -7.721152635310e-03 5*0.0 -1.600928948100e-02 1.833119790370e-03 0.0 8.427369863790e-03 4.077106439830e-03
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5*0.0 2.023444208970e-02 -2.592913181630e-03 0.0 -1.320557134280e-02 -7.447562964650e-03 5*0.0 -1.549435935410e-02 1.761930706110e-03 0.0 8.130637308050e-03 3.922447220380e-03
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5*0.0 1.966154134040e-02 -2.502027319930e-03 0.0 -1.277925180520e-02 -7.183077834240e-03 5*0.0 -1.499413955060e-02 1.693362283620e-03 0.0 7.843521644980e-03 3.773290104640e-03
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5*0.0 1.910301505220e-02 -2.414143304420e-03 0.0 -1.236560140630e-02 -6.927416141300e-03 5*0.0 -1.450828453520e-02 1.627324566680e-03 0.0 7.565746986830e-03 3.629455141850e-03
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5*0.0 1.855855762660e-02 -2.329168219830e-03 0.0 -1.196428141370e-02 -6.680304665070e-03 5*0.0 -1.403645402370e-02 1.563730409970e-03 0.0 7.297043906890e-03 3.490767577490e-03
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5*0.0 1.802786857700e-02 -2.247011856730e-03 0.0 -1.157496085090e-02 -6.441477867150e-03 5*0.0 -1.357831301950e-02 1.502495402170e-03 0.0 7.037149345180e-03 3.357057731580e-03
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5*0.0 1.751065245830e-02 -2.167586613340e-03 0.0 -1.119731638560e-02 -6.210677738690e-03 5*0.0 -1.313353184340e-02 1.443537790620e-03 0.0 6.785806513000e-03 3.228160878700e-03
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5*0.0 1.700661862490e-02 -2.090807419750e-03 0.0 -1.083103236360e-02 -5.987653568620e-03 5*0.0 -1.270178615730e-02 1.386778407730e-03 0.0 6.542764796730e-03 3.103917129760e-03
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5*0.0 1.651548147420e-02 -2.016591698550e-03 0.0 -1.047580042780e-02 -5.772161796700e-03 5*0.0 -1.228275698200e-02 1.332140599000e-03 0.0 6.307779660780e-03 2.984171315470e-03
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5*0.0 1.603696002690e-02 -1.944859251070e-03 0.0 -1.013131962670e-02 -5.563965799780e-03 5*0.0 -1.187613070950e-02 1.279550152740e-03 0.0 6.080612549940e-03 2.868772871670e-03
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5*0.0 1.557077833050e-02 -1.875532257900e-03 0.0 -9.797296036630e-03 -5.362835761090e-03 5*0.0 -1.148159910960e-02 1.228935231360e-03 0.0 5.861030791280e-03 2.757575726370e-03
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5*0.0 1.511666497710e-02 -1.808535133040e-03 0.0 -9.473442791300e-03 -5.168548458480e-03 5*0.0 -1.109885933160e-02 1.180226304210e-03 0.0 5.648807495590e-03 2.650438188680e-03
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5*0.0 1.467435341680e-02 -1.743794546070e-03 0.0 -9.159479855360e-03 -4.980887139430e-03 5*0.0 -1.072761390090e-02 1.133356082080e-03 0.0 5.443721458580e-03 2.547222839510e-03
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5*0.0 1.424358153610e-02 -1.681239291370e-03 0.0 -8.855133962300e-03 -4.799641271460e-03 5*0.0 -1.036757071140e-02 1.088259453130e-03 0.0 5.245557061960e-03 2.447796424130e-03
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5*0.0 1.382409198220e-02 -1.620800269970e-03 0.0 -8.560138433340e-03 -4.624606510560e-03 5*0.0 -1.001844301270e-02 1.044873420440e-03 0.0 5.054104174410e-03 2.352029746540e-03
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5*0.0 1.341563182290e-02 -1.562410407540e-03 0.0 -8.274233033380e-03 -4.455584416410e-03 5*0.0 -9.679949393930e-03 1.003137041000e-03 0.0 4.869158052540e-03 2.259797565740e-03
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5*0.0 1.301795264590e-02 -1.506004625220e-03 0.0 -7.997163909650e-03 -4.292382367200e-03 5*0.0 -9.351813762950e-03 9.629913661200e-04 0.0 4.690519242110e-03 2.170978493780e-03
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5*0.0 1.263081047700e-02 -1.451519763990e-03 0.0 -7.728683398130e-03 -4.134813407310e-03 5*0.0 -9.033765322010e-03 9.243793834080e-04 0.0 4.517993479330e-03 2.085454895730e-03
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5*0.0 1.225396571500e-02 -1.398894540900e-03 0.0 -7.468549932910e-03 -3.982696069550e-03 5*0.0 -8.725538539910e-03 8.872459600430e-04 0.0 4.351391592510e-03 2.003112791430e-03
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5*0.0 1.188718311930e-02 -1.348069486910e-03 0.0 -7.216527883170e-03 -3.835854264450e-03 5*0.0 -8.426873120650e-03 8.515377875220e-04 0.0 4.190529404100e-03 1.923841759170e-03
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5*0.0 1.153023163860e-02 -1.298986901490e-03 0.0 -6.972387533370e-03 -3.694117106680e-03 5*0.0 -8.137513968960e-03 8.172033277380e-04 0.0 4.035227633160e-03 1.847534841120e-03
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5*0.0 1.118288453570e-02 -1.251590816800e-03 0.0 -6.735904829870e-03 -3.557318792600e-03 5*0.0 -7.857211152800e-03 7.841927604260e-04 0.0 3.885311798320e-03 1.774088450670e-03
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5*0.0 1.084491924670e-02 -1.205826937970e-03 0.0 -6.506861338130e-03 -3.425298482350e-03 5*0.0 -7.585719863060e-03 7.524579319170e-04 0.0 3.740612121390e-03 1.703402281570e-03
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5*0.0 1.051611731130e-02 -1.161642589330e-03 0.0 -6.285044133480e-03 -3.297900135090e-03 5*0.0 -7.322800370610e-03 7.219523051960e-04 0.0 3.600963431550e-03 1.635379218870e-03
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5*0.0 1.019626428250e-02 -1.118986671570e-03 0.0 -6.070245677560e-03 -3.174972385260e-03 5*0.0 -7.068217980860e-03 6.926309112360e-04 0.0 3.466205070290e-03 1.569925251720e-03
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5*0.0 9.885149880040e-03 -1.077809645360e-03 0.0 -5.862263623570e-03 -3.056368464050e-03 5*0.0 -6.821742986010e-03 6.644503015720e-04 0.0 3.336180797050e-03 1.506949387930e-03
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5*0.0 9.582567709200e-03 -1.038063448370e-03 0.0 -5.660900844750e-03 -2.941946000710e-03 5*0.0 -6.583150615210e-03 6.373685021120e-04 0.0 3.210738695800e-03 1.446363570320e-03
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5*0.0 9.288315284680e-03 -9.997014750620e-04 0.0 -5.465965253060e-03 -2.831566959440e-03 5*0.0 -6.352220982570e-03 6.113449681440e-04 0.0 3.089731082270e-03 1.388082594870e-03
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5*0.0 9.002194040710e-03 -9.626785289180e-04 0.0 -5.277269643920e-03 -2.725097495740e-03 5*0.0 -6.128739033450e-03 5.863405405160e-04 0.0 2.973014412320e-03 1.332024030570e-03
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5*0.0 8.724009238150e-03 -9.269507967360e-04 0.0 -5.094631686540e-03 -2.622407859690e-03 5*0.0 -5.912494489010e-03 5.623174029840e-04 0.0 2.860449191030e-03 1.278108141100e-03
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5*0.0 8.453569876270e-03 -8.924757857150e-04 0.0 -4.917873754740e-03 -2.523372258070e-03 5*0.0 -5.703281789080e-03 5.392390406770e-04 0.0 2.751899882970e-03 1.226257808110e-03
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5*0.0 8.190688708850e-03 -8.592123095080e-04 0.0 -4.746822835750e-03 -2.427868770680e-03 5*0.0 -5.500900033730e-03 5.170701996820e-04 0.0 2.647234823330e-03 1.176398456350e-03
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5*0.0 7.935182141080e-03 -8.271204360310e-04 0.0 -4.581310456970e-03 -2.335779227980e-03 5*0.0 -5.305152923440e-03 4.957768477030e-04 0.0 2.546326130200e-03 1.128457980370e-03
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5*0.0 7.686870251800e-03 -7.961614600170e-04 0.0 -4.421172520980e-03 -2.246989119480e-03 5*0.0 -5.115848698010e-03 4.753261357940e-04 0.0 2.449049617890e-03 1.082366672960e-03
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5*0.0 7.445576625300e-03 -7.662978625370e-04 0.0 -4.266249316990e-03 -2.161387471770e-03 5*0.0 -4.932800074530e-03 4.556863611210e-04 0.0 2.355284711350e-03 1.038057155180e-03
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5*0.0 7.211128428240e-03 -7.374932824420e-04 0.0 -4.116385285770e-03 -2.078866770530e-03 5*0.0 -4.755824184280e-03 4.368269307520e-04 0.0 2.264914361780e-03 9.954643080930e-04
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5*0.0 6.983356302090e-03 -7.097124805690e-04 0.0 -3.971429060260e-03 -1.999322850760e-03 5*0.0 -4.584742508770e-03 4.187183264350e-04 0.0 2.177824963310e-03 9.545252060340e-04
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5*0.0 6.762094253850e-03 -6.829213071320e-04 0.0 -3.831233266630e-03 -1.922654815910e-03 5*0.0 -4.419380815060e-03 4.013320703540e-04 0.0 2.093906270910e-03 9.151790515110e-04
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5*0.0 6.547179745640e-03 -6.570866725620e-04 0.0 -3.695654503080e-03 -1.848764923920e-03 5*0.0 -4.259569090380e-03 3.846406918350e-04 0.0 2.013051319520e-03 8.773671116500e-04
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5*0.0 6.338453494660e-03 -6.321765165010e-04 0.0 -3.564553199890e-03 -1.777558511800e-03 5*0.0 -4.105141476240e-03 3.686176949870e-04 0.0 1.935156344290e-03 8.410326561830e-04
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5*0.0 6.135759679250e-03 -6.081597808480e-04 0.0 -3.437793563810e-03 -1.708943913620e-03 5*0.0 -3.955936201950e-03 3.532375272490e-04 0.0 1.860120702150e-03 8.061208969600e-04
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5*0.0 5.938945489650e-03 -5.850063700010e-04 0.0 -3.315243501820e-03 -1.642832357000e-03 5*0.0 -3.811795517940e-03 3.384755488310e-04 0.0 1.787846794580e-03 7.725789289520e-04
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5*0.0 5.747861427570e-03 -5.626871390360e-04 0.0 -3.196774480800e-03 -1.579137896970e-03 5*0.0 -3.672565628540e-03 3.243080030180e-04 0.0 1.718239991570e-03 7.403556727290e-04
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5*0.0 4.713705640060e-03 -4.447692891360e-04 0.0 -2.564897651200e-03 -1.243252374380e-03 5*0.0 -2.932181631950e-03 2.505596078530e-04 0.0 1.351664556390e-03 5.720648256270e-04
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5*0.0 4.558803457820e-03 -4.275468072450e-04 0.0 -2.471682284850e-03 -1.194291390500e-03 5*0.0 -2.823338997040e-03 2.399562285550e-04 0.0 1.298311825950e-03 5.477842563680e-04
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5*0.0 4.408544276080e-03 -4.109561352420e-04 0.0 -2.381639522710e-03 -1.147152120050e-03 5*0.0 -2.718311040320e-03 2.297857270010e-04 0.0 1.246967324440e-03 5.244730491210e-04
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5*0.0 4.262805140910e-03 -3.949754652240e-04 0.0 -2.294669613360e-03 -1.101770574100e-03 5*0.0 -2.616976518050e-03 2.200310916990e-04 0.0 1.197559927390e-03 5.020941973670e-04
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5*0.0 4.121465854640e-03 -3.795836905950e-04 0.0 -2.210675635640e-03 -1.058084864070e-03 5*0.0 -2.519217468240e-03 2.106759408320e-04 0.0 1.150020788510e-03 4.806120206450e-04
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|
||||
5*0.0 6.312324820630e-06 2.622209726640e-07 0.0 3.324814326800e-06 5.130049818060e-07 5*0.0 7.510853407380e-06 -1.576313627640e-06 0.0 -1.050110713300e-05 -1.736345014220e-06
|
||||
5*0.0 5.772854588010e-06 2.751483592080e-07 0.0 3.434492814410e-06 4.526520637660e-07 5*0.0 7.897564905670e-06 -1.555548850920e-06 0.0 -1.044177611410e-05 -1.585968311680e-06
|
||||
5*0.0 5.254692903860e-06 2.868378603040e-07 0.0 3.534299491910e-06 3.896126778070e-07 5*0.0 8.268481212010e-06 -1.534031279120e-06 0.0 -1.037601829580e-05 -1.435324462620e-06
|
||||
5*0.0 4.757026954700e-06 2.973441902720e-07 0.0 3.624627455390e-06 3.240623658300e-07 5*0.0 8.623982353500e-06 -1.511800695340e-06 0.0 -1.030407859810e-05 -1.284518896200e-06
|
||||
5*0.0 4.279077277940e-06 3.067199832510e-07 0.0 3.705854930700e-06 2.561697911310e-07 5*0.0 8.964437133660e-06 -1.488895697060e-06 0.0 -1.022619566850e-05 -1.133653323910e-06
|
||||
5*0.0 3.820097825640e-06 3.150155659880e-07 0.0 3.778345957120e-06 1.860970135070e-07 5*0.0 9.290203692810e-06 -1.465353733690e-06 0.0 -1.014260208880e-05 -9.828258430990e-07
|
||||
5*0.0 3.379373009860e-06 3.222793396160e-07 0.0 3.842450918040e-06 1.139997366970e-07 5*0.0 9.601630037160e-06 -1.441211142170e-06 0.0 -1.005352457140e-05 -8.321310374660e-07
|
||||
5*0.0 2.956217690360e-06 3.285576825570e-07 0.0 3.898507108070e-06 4.002756130640e-08 5*0.0 9.899054540600e-06 -1.416503181010e-06 0.0 -9.959184144900e-06 -6.816600732410e-07
|
||||
5*0.0 2.549975324110e-06 3.338950091800e-07 0.0 3.946839301610e-06 -3.567579179390e-08 5*0.0 1.018280641880e-05 -1.391264063030e-06 0.0 -9.859796331640e-06 -5.315007924680e-07
|
||||
5*0.0 2.160016327790e-06 3.383340802320e-07 0.0 3.987760244650e-06 -1.129722344000e-07 5*0.0 1.045320617740e-05 -1.365526986330e-06 0.0 -9.755571315040e-06 -3.817378026310e-07
|
||||
5*0.0 1.785738510440e-06 3.419157892680e-07 0.0 4.021571203140e-06 -1.917291249930e-07 5*0.0 1.071056603560e-05 -1.339324164060e-06 0.0 -9.646714099660e-06 -2.324525633340e-07
|
||||
5*0.0 1.426563965890e-06 3.446794699910e-07 0.0 4.048562360520e-06 -2.718190412810e-07 5*0.0 1.095519032600e-05 -1.312686852990e-06 0.0 -9.533424662560e-06 -8.372347016740e-08
|
||||
5*0.0 1.081939258800e-06 3.466628237600e-07 0.0 4.069013354040e-06 -3.531195930100e-07 5*0.0 1.118737587220e-05 -1.285645380630e-06 0.0 -9.415898097300e-06 6.437406447430e-08
|
||||
5*0.0 7.513337610200e-07 3.479021288180e-07 0.0 4.083193655930e-06 -4.355132289430e-07 5*0.0 1.140741234490e-05 -1.258229171450e-06 0.0 -9.294324751340e-06 2.117675331110e-07
|
||||
5*0.0 4.342399389340e-07 3.484320458250e-07 0.0 4.091363042000e-06 -5.188870537970e-07 5*0.0 1.161558259720e-05 -1.230466771670e-06 0.0 -9.168890355860e-06 3.583872573080e-07
|
||||
5*0.0 1.301697607170e-07 3.482860874610e-07 0.0 4.093771917060e-06 -6.031326623870e-07 5*0.0 1.181216298140e-05 -1.202385873550e-06 0.0 -9.039776150040e-06 5.041663143830e-07
|
||||
5*0.0 -1.613432196960e-07 3.474962684020e-07 0.0 4.090661767880e-06 -6.881459651610e-07 5*0.0 1.199742364660e-05 -1.174013338050e-06 0.0 -8.907158998890e-06 6.490404663540e-07
|
||||
5*0.0 -4.407464157520e-07 3.460933947560e-07 0.0 4.082265500930e-06 -7.738270354000e-07 5*0.0 1.217162881860e-05 -1.145375217100e-06 0.0 -8.771211505750e-06 7.929480910120e-07
|
||||
5*0.0 -7.084690957210e-07 3.441070597180e-07 0.0 4.068807795340e-06 -8.600799517530e-07 5*0.0 1.233503706400e-05 -1.116496774690e-06 0.0 -8.632102118910e-06 9.358301148540e-07
|
||||
5*0.0 -9.649226875260e-07 3.415657229690e-07 0.0 4.050505406490e-06 -9.468126571520e-07 5*0.0 1.248790153770e-05 -1.087402507350e-06 0.0 -8.489995234180e-06 1.077629948600e-06
|
||||
5*0.0 -1.210501184170e-06 3.384966815940e-07 0.0 4.027567541910e-06 -1.033936811080e-06 5*0.0 1.263047021560e-05 -1.058116163670e-06 0.0 -8.345051291690e-06 1.218293423730e-06
|
||||
5*0.0 -1.445583228540e-06 3.349262366550e-07 0.0 4.000196116260e-06 -1.121367663260e-06 5*0.0 1.276298611310e-05 -1.028660763080e-06 0.0 -8.197426868980e-06 1.357768731530e-06
|
||||
5*0.0 -1.670531548030e-06 3.308796198780e-07 0.0 3.968586087450e-06 -1.209023923670e-06 5*0.0 1.288568749000e-05 -9.990586143140e-07 0.0 -8.047274769600e-06 1.496006363320e-06
|
||||
5*0.0 -1.885694162410e-06 3.263811377040e-07 0.0 3.932925672160e-06 -1.296827629350e-06 5*0.0 1.299880804240e-05 -9.693313324920e-07 0.0 -7.894744107830e-06 1.632959052680e-06
|
||||
5*0.0 -2.091404872620e-06 3.214540994250e-07 0.0 3.893396683050e-06 -1.384704038910e-06 5*0.0 1.310257708310e-05 -9.394998564680e-07 0.0 -7.739980389770e-06 1.768581718940e-06
|
||||
5*0.0 -2.287984259630e-06 3.161209899100e-07 0.0 3.850174726310e-06 -1.472581514100e-06 5*0.0 1.319721970960e-05 -9.095844646930e-07 0.0 -7.583125590750e-06 1.902831412100e-06
|
||||
5*0.0 -2.475740055350e-06 3.104033870440e-07 0.0 3.803429493190e-06 -1.560391406610e-06 5*0.0 1.328295696170e-05 -8.796047913690e-07 0.0 -7.424318229840e-06 2.035667259600e-06
|
||||
5*0.0 -2.654967293480e-06 3.043220991480e-07 0.0 3.753324938800e-06 -1.648067958320e-06 5*0.0 1.336000596940e-05 -8.495798414110e-07 0.0 -7.263693440930e-06 2.167050413810e-06
|
||||
5*0.0 -2.825949650550e-06 2.978970728210e-07 0.0 3.700019547740e-06 -1.735548198210e-06 5*0.0 1.342858008990e-05 -8.195280052970e-07 0.0 -7.101383041220e-06 2.296944001220e-06
|
||||
5*0.0 -2.988959618520e-06 2.911475944590e-07 0.0 3.643666525180e-06 -1.822771849500e-06 5*0.0 1.348888903600e-05 -7.894670733280e-07 0.0 -6.937515596830e-06 2.425313072740e-06
|
||||
5*0.0 -3.144258681910e-06 2.840921552330e-07 0.0 3.584414002330e-06 -1.909681234910e-06 5*0.0 1.354113899650e-05 -7.594142494320e-07 0.0 -6.772216485980e-06 2.552124555050e-06
|
||||
5*0.0 -3.292098464910e-06 2.767485909290e-07 0.0 3.522405234280e-06 -1.996221183150e-06 5*0.0 1.358553274760e-05 -7.293861646360e-07 0.0 -6.605607960030e-06 2.677347203370e-06
|
||||
5*0.0 -3.432720626750e-06 2.691340530530e-07 0.0 3.457778778060e-06 -2.082338950670e-06 5*0.0 1.362226975670e-05 -6.993988900550e-07 0.0 -6.437809201670e-06 2.800951554890e-06
|
||||
5*0.0 -3.566357683820e-06 2.612650639640e-07 0.0 3.390668657930e-06 -2.167984139620e-06 5*0.0 1.365154627970e-05 -6.694679495140e-07 0.0 -6.268936381860e-06 2.922909883610e-06
|
||||
5*0.0 -3.693233112030e-06 2.531575260620e-07 0.0 3.321204562690e-06 -2.253108612830e-06 5*0.0 1.367355545050e-05 -6.396083318800e-07 0.0 -6.099102714350e-06 3.043196155960e-06
|
||||
5*0.0 -3.813562140520e-06 2.448267708410e-07 0.0 3.249511980130e-06 -2.337666418130e-06 5*0.0 1.368848736500e-05 -6.098345030420e-07 0.0 -5.928418508430e-06 3.161785987410e-06
|
||||
5*0.0 -3.927551818070e-06 2.362875508830e-07 0.0 3.175712367130e-06 -2.421613724600e-06 5*0.0 1.369652915900e-05 -5.801604175230e-07 0.0 -5.756991220120e-06 3.278656600040e-06
|
||||
5*0.0 -4.035401498400e-06 2.275540755390e-07 0.0 3.099923273870e-06 -2.504908742030e-06 5*0.0 1.369786507990e-05 -5.505995298270e-07 0.0 -5.584925501850e-06 3.393786780930e-06
|
||||
5*0.0 -4.137303206830e-06 2.186400442330e-07 0.0 3.022258504550e-06 -2.587511658810e-06 5*0.0 1.369267655390e-05 -5.211648055220e-07 0.0 -5.412323250410e-06 3.507156841470e-06
|
||||
5*0.0 -4.233441873790e-06 2.095586300710e-07 0.0 2.942828251380e-06 -2.669384575780e-06 5*0.0 1.368114224790e-05 -4.918687320230e-07 0.0 -5.239283653930e-06 3.618748577480e-06
|
||||
5*0.0 -4.323996029430e-06 2.003225449520e-07 0.0 2.861739197100e-06 -2.750491442460e-06 5*0.0 1.366343812700e-05 -4.627233291080e-07 0.0 -5.065903237170e-06 3.728545229980e-06
|
||||
5*0.0 -4.409137486620e-06 1.909440425280e-07 0.0 2.779094665360e-06 -2.830797997240e-06 5*0.0 1.363973750750e-05 -4.337401593130e-07 0.0 -4.892275905970e-06 3.836531447020e-06
|
||||
5*0.0 -4.489032254700e-06 1.814349066500e-07 0.0 2.694994725150e-06 -2.910271711880e-06 5*0.0 1.361021110640e-05 -4.049303377860e-07 0.0 -4.718492990430e-06 3.942693245970e-06
|
||||
5*0.0 -4.563840320550e-06 1.718064973010e-07 0.0 2.609536293980e-06 -2.988881729850e-06 5*0.0 1.357502708650e-05 -3.763045423550e-07 0.0 -4.544643287060e-06 4.047017976630e-06
|
||||
5*0.0 -4.633716352830e-06 1.620697805370e-07 0.0 2.522813255390e-06 -3.066598818130e-06 5*0.0 1.353435109910e-05 -3.478730230420e-07 0.0 -4.370813100010e-06 4.149494285090e-06
|
||||
5*0.0 -4.698809745380e-06 1.522353154650e-07 0.0 2.434916555390e-06 -3.143395311460e-06 5*0.0 1.348834632220e-05 -3.196456114990e-07 0.0 -4.197086281560e-06 4.250112078270e-06
|
||||
5*0.0 -4.759264654430e-06 1.423132590850e-07 0.0 2.345934303130e-06 -3.219245062220e-06 5*0.0 1.343717349730e-05 -2.916317303020e-07 0.0 -4.023544271420e-06 4.348862489040e-06
|
||||
5*0.0 -4.815220642330e-06 1.323134099840e-07 0.0 2.255951847310e-06 -3.294123393860e-06 5*0.0 1.338099096160e-05 -2.638404018920e-07 0.0 -3.850266135700e-06 4.445737841920e-06
|
||||
5*0.0 -4.866812557700e-06 1.222452139590e-07 0.0 2.165051896210e-06 -3.368007052380e-06 5*0.0 1.331995468000e-05 -2.362802576380e-07 0.0 -3.677328604890e-06 4.540731619750e-06
|
||||
5*0.0 -4.914171098370e-06 1.121177709720e-07 0.0 2.073314559840e-06 -3.440874161190e-06 5*0.0 1.325421827230e-05 -2.089595463750e-07 0.0 -3.504806111150e-06 4.633838430470e-06
|
||||
5*0.0 -4.957422536670e-06 1.019398423940e-07 0.0 1.980817478840e-06 -3.512704178900e-06 5*0.0 1.318393304070e-05 -1.818861430920e-07 0.0 -3.332770825190e-06 4.725053974890e-06
|
||||
5*0.0 -4.996689397300e-06 9.171987785000e-08 0.0 1.887635856900e-06 -3.583477854210e-06 5*0.0 1.310924799350e-05 -1.550675572600e-07 0.0 -3.161292692500e-06 4.814375014990e-06
|
||||
5*0.0 -5.032090247420e-06 8.146600720670e-08 0.0 1.793842562820e-06 -3.653177188940e-06 5*0.0 1.303030986780e-05 -1.285109410700e-07 0.0 -2.990439468830e-06 4.901799342480e-06
|
||||
5*0.0 -5.063740077530e-06 7.118606832620e-08 0.0 1.699508191730e-06 -3.721785388170e-06 5*0.0 1.294726315110e-05 -1.022230976410e-07 0.0 -2.820276755580e-06 4.987325748380e-06
|
||||
478
tests/DFTB/nonscc/osi
Normal file
478
tests/DFTB/nonscc/osi
Normal file
|
|
@ -0,0 +1,478 @@
|
|||
0.02, 475,
|
||||
0.0, -0.046182 0.045042 -0.017722 0.001314 0.002482 3*0.0,
|
||||
4.56, 3.8, 9*0.0,
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 5.990768099280e-01 -1.284137914500e-01 0.0 9.683501891180e-01 -7.874870731000e-01 5*0.0 -5.651179469630e-01 -5.427872004230e-01 0.0 -2.588768959660e-01 5.920057959530e-01
|
||||
5*0.0 6.513682729010e-01 -9.250692086830e-02 0.0 9.257417263290e-01 -7.775875620580e-01 5*0.0 -5.662173295670e-01 -5.438781089710e-01 0.0 -2.675893864110e-01 5.911791818360e-01
|
||||
5*0.0 6.987644743840e-01 -5.759870955440e-02 0.0 8.835467411330e-01 -7.651641452720e-01 5*0.0 -5.669607012480e-01 -5.449118165490e-01 0.0 -2.760339256860e-01 5.902487361920e-01
|
||||
5*0.0 7.412967856310e-01 -2.377122476990e-02 0.0 8.423065780460e-01 -7.509320524980e-01 5*0.0 -5.673253254310e-01 -5.458798003910e-01 0.0 -2.842352633050e-01 5.892287688780e-01
|
||||
5*0.0 7.790400073950e-01 8.909383208480e-03 0.0 8.024617813170e-01 -7.355075274870e-01 5*0.0 -5.672914080910e-01 -5.467740723250e-01 0.0 -2.922169575790e-01 5.881333153780e-01
|
||||
5*0.0 8.121048968600e-01 4.039128305420e-02 0.0 7.643632278440e-01 -7.194149766010e-01 5*0.0 -5.668420311620e-01 -5.475871883050e-01 0.0 -3.000011953070e-01 5.869758894620e-01
|
||||
5*0.0 8.406314715600e-01 7.063546013260e-02 0.0 7.282826500930e-01 -7.030947514230e-01 5*0.0 -5.659630654190e-01 -5.483122527690e-01 0.0 -3.076086587690e-01 5.857692892780e-01
|
||||
5*0.0 8.647830567370e-01 9.961431446360e-02 0.0 6.944224886560e-01 -6.869111678310e-01 5*0.0 -5.646430668260e-01 -5.489429184820e-01 0.0 -3.150584337980e-01 5.845254505580e-01
|
||||
5*0.0 8.847410398060e-01 1.273103591090e-01 0.0 6.629250293740e-01 -6.711604995170e-01 5*0.0 -5.628731598230e-01 -5.494733824680e-01 0.0 -3.223679534710e-01 5.832553402500e-01
|
||||
5*0.0 9.007002734880e-01 1.537150187530e-01 0.0 6.338807579380e-01 -6.560786858450e-01 5*0.0 -5.606469109590e-01 -5.498983785880e-01 0.0 -3.295529725340e-01 5.819688860730e-01
|
||||
5*0.0 9.128650968040e-01 1.788275244060e-01 0.0 6.073360056820e-01 -6.418486916530e-01 5*0.0 -5.579601953390e-01 -5.502131672650e-01 0.0 -3.366275677600e-01 5.806749350670e-01
|
||||
5*0.0 9.214459039970e-01 2.026539043910e-01 0.0 5.832998287560e-01 -6.286073736490e-01 5*0.0 -5.548110585180e-01 -5.504135227990e-01 0.0 -3.436041601620e-01 5.793812374380e-01
|
||||
5*0.0 9.266562250680e-01 2.252060638430e-01 0.0 5.617501861320e-01 -6.164518187220e-01 5*0.0 -5.511995758840e-01 -5.504957187110e-01 0.0 -3.504935553650e-01 5.780944509520e-01
|
||||
5*0.0 9.287102583150e-01 2.465009516570e-01 0.0 5.426394255470e-01 -6.054451386760e-01 5*0.0 -5.471277113010e-01 -5.504565114700e-01 0.0 -3.573049986810e-01 5.768201620980e-01
|
||||
5*0.0 9.278208106090e-01 2.665598068820e-01 0.0 5.258991445130e-01 -5.956216769730e-01 5*0.0 -5.425991765140e-01 -5.502931229440e-01 0.0 -3.640462419160e-01 5.755629205380e-01
|
||||
5*0.0 9.241976051310e-01 2.854074807290e-01 0.0 5.114444404330e-01 -5.869917277850e-01 5*0.0 -5.376192926770e-01 -5.500032218710e-01 0.0 -3.707236192680e-01 5.743262842070e-01
|
||||
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|
||||
5*0.0 -6.389026351700e-04 5.461402584330e-05 0.0 4.230306639970e-04 -3.731556091510e-04 5*0.0 -1.511514963910e-04 -2.784856543740e-05 0.0 -2.029302386700e-04 3.700570726420e-04
|
||||
5*0.0 -6.084357677000e-04 5.293948202940e-05 0.0 4.139290776150e-04 -3.686432509930e-04 5*0.0 -1.642638003990e-04 -2.816940144650e-05 0.0 -2.055638648230e-04 3.691763248790e-04
|
||||
5*0.0 -5.790697636870e-04 5.134686679620e-05 0.0 4.053905251150e-04 -3.642905221700e-04 5*0.0 -1.764390888740e-04 -2.851979236840e-05 0.0 -2.084413948740e-04 3.683008823040e-04
|
||||
5*0.0 -5.507746457580e-04 4.983290845090e-05 0.0 3.973916374970e-04 -3.600890046530e-04 5*0.0 -1.877108701820e-04 -2.889725949900e-05 0.0 -2.115454844360e-04 3.674264524530e-04
|
||||
5*0.0 -5.235210770910e-04 4.839443983870e-05 0.0 3.899097351720e-04 -3.560305989390e-04 5*0.0 -1.981117756800e-04 -2.929942932780e-05 0.0 -2.148594088850e-04 3.665489798620e-04
|
||||
5*0.0 -4.972803500360e-04 4.702839605750e-05 0.0 3.829228112030e-04 -3.521075146960e-04 5*0.0 -2.076735771850e-04 -2.972403048600e-05 0.0 -2.183670470870e-04 3.656646379970e-04
|
||||
5*0.0 -4.720243769160e-04 4.573181099670e-05 0.0 3.764095173840e-04 -3.483122612820e-04 5*0.0 -2.164272044750e-04 -3.016889012260e-05 0.0 -2.220528654000e-04 3.647698213830e-04
|
||||
5*0.0 -4.477256807990e-04 4.450181543400e-05 0.0 3.703491471210e-04 -3.446376407280e-04 5*0.0 -2.244027647510e-04 -3.063193071810e-05 0.0 -2.259019026930e-04 3.638611378840e-04
|
||||
5*0.0 -4.243573817000e-04 4.333563353120e-05 0.0 3.647216221820e-04 -3.410767364860e-04 5*0.0 -2.316295565900e-04 -3.111116721530e-05 0.0 -2.298997545420e-04 3.629354013300e-04
|
||||
5*0.0 -4.018931916840e-04 4.223058113480e-05 0.0 3.595074769640e-04 -3.376229079150e-04 5*0.0 -2.381360899620e-04 -3.160470353230e-05 0.0 -2.340325587220e-04 3.619896241210e-04
|
||||
5*0.0 -3.803074018550e-04 4.118406249980e-05 0.0 3.546878440730e-04 -3.342697802160e-04 5*0.0 -2.439500996060e-04 -3.211073004290e-05 0.0 -2.382869803360e-04 3.610210102340e-04
|
||||
5*0.0 -3.595748733710e-04 4.019356821250e-05 0.0 3.502444410350e-04 -3.310112372260e-04 5*0.0 -2.490985648480e-04 -3.262752031740e-05 0.0 -2.426501978460e-04 3.600269483050e-04
|
||||
5*0.0 -3.396710270370e-04 3.925667279510e-05 0.0 3.461595549790e-04 -3.278414138160e-04 5*0.0 -2.536077233170e-04 -3.315342852260e-05 0.0 -2.471098889530e-04 3.590050049240e-04
|
||||
5*0.0 -3.205718369880e-04 3.837103240890e-05 0.0 3.424160304930e-04 -3.247546875350e-04 5*0.0 -2.575030870660e-04 -3.368688676410e-05 0.0 -2.516542167680e-04 3.579529180990e-04
|
||||
5*0.0 -3.022538169420e-04 3.753438238100e-05 0.0 3.389972552740e-04 -3.217456723190e-04 5*0.0 -2.608094595030e-04 -3.422640220800e-05 0.0 -2.562718167030e-04 3.568685909120e-04
|
||||
5*0.0 -2.846940131850e-04 3.674453494840e-05 0.0 3.358871469900e-04 -3.188092105320e-04 5*0.0 -2.635509496910e-04 -3.477055469130e-05 0.0 -2.609517832130e-04 3.557500853630e-04
|
||||
5*0.0 -2.678699960230e-04 3.599937746810e-05 0.0 3.330701408670e-04 -3.159403662430e-04 5*0.0 -2.657509876690e-04 -3.531799416350e-05 0.0 -2.656836570170e-04 3.545956163500e-04
|
||||
5*0.0 -2.517598484630e-04 3.529686985890e-05 0.0 3.305311769660e-04 -3.131344176120e-04 5*0.0 -2.674323395360e-04 -3.586743825280e-05 0.0 -2.704574124790e-04 3.534035458230e-04
|
||||
5*0.0 -2.363421585650e-04 3.463504272320e-05 0.0 3.282556875690e-04 -3.103868515920e-04 5*0.0 -2.686171223010e-04 -3.641766992690e-05 0.0 -2.752634455520e-04 3.521723771430e-04
|
||||
5*0.0 -2.215960113120e-04 3.401199538290e-05 0.0 3.262295847330e-04 -3.076933560810e-04 5*0.0 -2.693268174310e-04 -3.696753520270e-05 0.0 -2.800925614820e-04 3.509007495060e-04
|
||||
5*0.0 -2.075009774900e-04 3.342589380720e-05 0.0 3.244392490160e-04 -3.050498147380e-04 5*0.0 -2.695822863570e-04 -3.751594090110e-05 0.0 -2.849359634050e-04 3.495874326480e-04
|
||||
5*0.0 -1.940371071820e-04 3.287496876560e-05 0.0 3.228715175790e-04 -3.024522991100e-04 5*0.0 -2.694037829710e-04 -3.806185250590e-05 0.0 -2.897852405320e-04 3.482313216050e-04
|
||||
5*0.0 -1.811849194170e-04 3.235751377670e-05 0.0 3.215136724100e-04 -2.998970645350e-04 5*0.0 -2.688109690750e-04 -3.860429204990e-05 0.0 -2.946323573900e-04 3.468314316670e-04
|
||||
5*0.0 -1.689253954750e-04 3.187188370290e-05 0.0 3.203534291980e-04 -2.973805425540e-04 5*0.0 -2.678229257810e-04 -3.914233610650e-05 0.0 -2.994696423450e-04 3.453868934410e-04
|
||||
5*0.0 -1.572399668770e-04 3.141649221440e-05 0.0 3.193789272580e-04 -2.948993364660e-04 5*0.0 -2.664581689300e-04 -3.967511374540e-05 0.0 -3.042897772370e-04 3.438969480950e-04
|
||||
5*0.0 -1.461105142440e-04 3.098981136430e-05 0.0 3.185787160650e-04 -2.924502147260e-04 5*0.0 -2.647346594750e-04 -4.020180481950e-05 0.0 -3.090857867850e-04 3.423609427420e-04
|
||||
5*0.0 -1.355193491580e-04 3.059036803630e-05 0.0 3.179417489160e-04 -2.900301062230e-04 5*0.0 -2.626698194380e-04 -4.072163778780e-05 0.0 -3.138510284610e-04 3.407783259360e-04
|
||||
5*0.0 -1.254492140760e-04 3.021674393020e-05 0.0 3.174573677040e-04 -2.876360940910e-04 5*0.0 -2.602805425140e-04 -4.123388802520e-05 0.0 -3.185791823550e-04 3.391486432940e-04
|
||||
5*0.0 -1.158832736160e-04 2.986757354630e-05 0.0 3.171152971050e-04 -2.852654115680e-04 5*0.0 -2.575832047630e-04 -4.173787652940e-05 0.0 -3.232642414440e-04 3.374715332630e-04
|
||||
5*0.0 -1.068050984290e-04 2.954154179160e-05 0.0 3.169056316060e-04 -2.829154360070e-04 5*0.0 -2.545936824240e-04 -4.223296718840e-05 0.0 -3.279005022120e-04 3.357467230580e-04
|
||||
5*0.0 -9.819866821780e-05 2.923738316130e-05 0.0 3.168188279520e-04 -2.805836846560e-04 5*0.0 -2.513273564150e-04 -4.271856622740e-05 0.0 -3.324825550830e-04 3.339740246240e-04
|
||||
5*0.0 -9.004835821410e-05 2.895388087180e-05 0.0 3.168456923390e-04 -2.782678093980e-04 5*0.0 -2.477991299530e-04 -4.319412002250e-05 0.0 -3.370052755660e-04 3.321533308140e-04
|
||||
5*0.0 -8.233893307710e-05 2.868986379890e-05 0.0 3.169773759980e-04 -2.759655922110e-04 5*0.0 -2.440234365500e-04 -4.365911359800e-05 0.0 -3.414638151570e-04 3.302846116110e-04
|
||||
5*0.0 -7.505553768930e-05 2.844420666000e-05 0.0 3.172053612450e-04 -2.736749406040e-04 5*0.0 -2.400142536680e-04 -4.411306924160e-05 0.0 -3.458535929400e-04 3.283679105480e-04
|
||||
5*0.0 -6.818369174510e-05 2.821582741860e-05 0.0 3.175214556550e-04 -2.713938835340e-04 5*0.0 -2.357851111780e-04 -4.455554499770e-05 0.0 -3.501702868220e-04 3.264033411430e-04
|
||||
5*0.0 -6.170928026820e-05 2.800368669280e-05 0.0 3.179177818210e-04 -2.691205663030e-04 5*0.0 -2.313491042970e-04 -4.498613330690e-05 0.0 -3.544098255080e-04 3.243910835460e-04
|
||||
5*0.0 -5.561855049110e-05 2.780678632590e-05 0.0 3.183867689120e-04 -2.668532473600e-04 5*0.0 -2.267189037550e-04 -4.540445952440e-05 0.0 -3.585683803440e-04 3.223313811820e-04
|
||||
5*0.0 -4.989809887550e-05 2.762416759760e-05 0.0 3.189211446530e-04 -2.645902934840e-04 5*0.0 -2.219067653220e-04 -4.581018069620e-05 0.0 -3.626423574700e-04 3.202245376110e-04
|
||||
5*0.0 -4.453487046560e-05 2.745491105070e-05 0.0 3.195139270020e-04 -2.623301759450e-04 5*0.0 -2.169245409680e-04 -4.620298423070e-05 0.0 -3.666283901100e-04 3.180709134080e-04
|
||||
5*0.0 -3.951614576900e-05 2.729813399620e-05 0.0 3.201584161800e-04 -2.600714669470e-04 5*0.0 -2.117836889370e-04 -4.658258668250e-05 0.0 -3.705233312480e-04 3.158709231740e-04
|
||||
5*0.0 -3.482953925100e-05 2.715299028500e-05 0.0 3.208481860390e-04 -2.578128357900e-04 5*0.0 -2.064952823150e-04 -4.694873252320e-05 0.0 -3.743242460710e-04 3.136250326580e-04
|
||||
5*0.0 -3.046298833090e-05 2.701866880770e-05 0.0 3.215770775310e-04 -2.555530446980e-04 5*0.0 -2.010700210830e-04 -4.730119289950e-05 0.0 -3.780284051370e-04 3.113337559240e-04
|
||||
5*0.0 -2.640474872480e-05 2.689439221130e-05 0.0 3.223391902910e-04 -2.532909460970e-04 5*0.0 -1.955182383280e-04 -4.763976481190e-05 0.0 -3.816332772350e-04 3.089976526890e-04
|
||||
5*0.0 -2.264339117650e-05 2.677941645100e-05 0.0 3.231288756040e-04 -2.510254787570e-04 5*0.0 -1.898499126550e-04 -4.796426956420e-05 0.0 -3.851365226670e-04 3.066173256630e-04
|
||||
5*0.0 -1.916778792080e-05 2.667302885770e-05 0.0 3.239407292570e-04 -2.487556641040e-04 5*0.0 -1.840746752340e-04 -4.827455200990e-05 0.0 -3.885359867510e-04 3.041934180400e-04
|
||||
5*0.0 -1.596711109220e-05 2.657454771300e-05 0.0 3.247695845150e-04 -2.464806035780e-04 5*0.0 -1.782018192900e-04 -4.857047951300e-05 0.0 -3.918296932700e-04 3.017266110510e-04
|
||||
5*0.0 -1.303082774430e-05 2.648332127840e-05 0.0 3.256105043050e-04 -2.441994752380e-04 5*0.0 -1.722403090410e-04 -4.885194087530e-05 0.0 -3.950158382540e-04 2.992176215960e-04
|
||||
5*0.0 -1.034868780770e-05 2.639872628210e-05 0.0 3.264587762090e-04 -2.419115304910e-04 5*0.0 -1.661987882230e-04 -4.911884534320e-05 0.0 -3.980927839430e-04 2.966671999810e-04
|
||||
5*0.0 -7.910725474170e-06 2.632016772780e-05 0.0 3.273099046570e-04 -2.396160913590e-04 5*0.0 -1.600855878600e-04 -4.937112184940e-05 0.0 -4.010590527760e-04 2.940761276830e-04
|
||||
5*0.0 -5.707246980860e-06 2.624707717820e-05 0.0 3.281596043580e-04 -2.373125475370e-04 5*0.0 -1.539087349210e-04 -4.960871792860e-05 0.0 -4.039133215810e-04 2.914452152660e-04
|
||||
5*0.0 -3.728829003630e-06 2.617891252740e-05 0.0 3.290037949790e-04 -2.350003533690e-04 5*0.0 -1.476759606930e-04 -4.983159892260e-05 0.0 -4.066544160520e-04 2.887753002960e-04
|
||||
5*0.0 -1.966309460310e-06 2.611515678150e-05 0.0 3.298385940860e-04 -2.326790255050e-04 5*0.0 -1.413947080940e-04 -5.003974721270e-05 0.0 -4.092813051060e-04 2.860672453900e-04
|
||||
5*0.0 -4.107851073790e-07 2.605531722650e-05 0.0 3.306603113330e-04 -2.303481399120e-04 5*0.0 -1.350721389300e-04 -5.023316131180e-05 0.0 -4.117930956970e-04 2.833219362970e-04
|
||||
5*0.0 9.463954788270e-07 2.599892484470e-05 0.0 3.314654430190e-04 -2.280073294360e-04 5*0.0 -1.287151427720e-04 -5.041185509770e-05 0.0 -4.141890274720e-04 2.805402800510e-04
|
||||
5*0.0 2.113638641010e-06 2.594553307320e-05 0.0 3.322506664210e-04 -2.256562813670e-04 5*0.0 -1.223303430320e-04 -5.057585715190e-05 0.0 -4.164684678190e-04 2.777232032360e-04
|
||||
5*0.0 3.099109806910e-06 2.589471746880e-05 0.0 3.330128329400e-04 -2.232947348810e-04 5*0.0 -1.159241049080e-04 -5.072520985630e-05 0.0 -4.186309068620e-04 2.748716502360e-04
|
||||
5*0.0 3.910737191010e-06 2.584607487630e-05 0.0 3.337489643790e-04 -2.209224788050e-04 5*0.0 -1.095025421830e-04 -5.085996886310e-05 0.0 -4.206759527340e-04 2.719865816420e-04
|
||||
5*0.0 4.556221235110e-06 2.579922220560e-05 0.0 3.344562463240e-04 -2.185393493200e-04 5*0.0 -1.030715237110e-04 -5.098020229960e-05 0.0 -4.226033268450e-04 2.690689726180e-04
|
||||
5*0.0 5.043034839450e-06 2.575379649940e-05 0.0 3.351320235730e-04 -2.161452277520e-04 5*0.0 -9.663668134290e-05 -5.108599016630e-05 0.0 -4.244128594280e-04 2.661198114470e-04
|
||||
5*0.0 5.378432718040e-06 2.570945366120e-05 0.0 3.357737947260e-04 -2.137400384450e-04 5*0.0 -9.020341535520e-05 -5.117742365110e-05 0.0 -4.261044850230e-04 2.631400980090e-04
|
||||
5*0.0 5.569452576290e-06 2.566586797900e-05 0.0 3.363792078000e-04 -2.113237466610e-04 5*0.0 -8.377690108090e-05 -5.125460461830e-05 0.0 -4.276782383050e-04 2.601308424190e-04
|
||||
5*0.0 5.622924089870e-06 2.562273139530e-05 0.0 3.369460539470e-04 -2.088963566180e-04 5*0.0 -7.736209617570e-05 -5.131764485530e-05 0.0 -4.291342498120e-04 2.570930636630e-04
|
||||
5*0.0 5.545469384470e-06 2.557975306840e-05 0.0 3.374722648130e-04 -2.064579095820e-04 5*0.0 -7.096374538260e-05 -5.136666570850e-05 0.0 -4.304727419460e-04 2.540277883010e-04
|
||||
5*0.0 5.343511013900e-06 2.553665852270e-05 0.0 3.379559063710e-04 -2.040084818400e-04 5*0.0 -6.458638773380e-05 -5.140179732760e-05 0.0 -4.316940250600e-04 2.509360492330e-04
|
||||
5*0.0 5.023274716180e-06 2.549318919390e-05 0.0 3.383951747570e-04 -2.015481831390e-04 5*0.0 -5.823436190290e-05 -5.142317830000e-05 0.0 -4.327984935620e-04 2.478188845090e-04
|
||||
5*0.0 4.590795431270e-06 2.544910163730e-05 0.0 3.387883923220e-04 -1.990771546100e-04 5*0.0 -5.191181196920e-05 -5.143095501760e-05 0.0 -4.337866222330e-04 2.446773361660e-04
|
||||
5*0.0 4.051920604190e-06 2.540416736500e-05 0.0 3.391340027220e-04 -1.965955673970e-04 5*0.0 -4.562269314040e-05 -5.142528129590e-05 0.0 -4.346589626270e-04 2.415124491630e-04
|
||||
5*0.0 3.412314359430e-06 2.535817187440e-05 0.0 3.394305674250e-04 -1.941036207510e-04 5*0.0 -3.937077734720e-05 -5.140631781650e-05 0.0 -4.354161395510e-04 2.383252703080e-04
|
||||
5*0.0 2.677464064100e-06 2.531091428280e-05 0.0 3.396767611360e-04 -1.916015406060e-04 5*0.0 -3.315965878060e-05 -5.137423170300e-05 0.0 -4.360588476790e-04 2.351168472740e-04
|
||||
5*0.0 1.852681010250e-06 2.526220696670e-05 0.0 3.398713678530e-04 -1.890895779370e-04 5*0.0 -2.699275837700e-05 -5.132919608290e-05 0.0 -4.365878481830e-04 2.318882276220e-04
|
||||
5*0.0 9.431077420250e-07 2.521187478330e-05 0.0 3.400132773450e-04 -1.865680073230e-04 5*0.0 -2.087333001450e-05 -5.127138967620e-05 0.0 -4.370039656290e-04 2.286404578960e-04
|
||||
5*0.0 -4.627994762690e-08 2.515975478250e-05 0.0 3.401014811530e-04 -1.840371255550e-04 5*0.0 -1.480446481420e-05 -5.120099635100e-05 0.0 -4.373080847790e-04 2.253745827440e-04
|
||||
501
tests/DFTB/nonscc/osi-d
Normal file
501
tests/DFTB/nonscc/osi-d
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, -0.0293907 0.0475524 -0.00350519 -0.00170369 0.00590998 3*0.0, 4.14, 3.8, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
3*0.0 -5.226595434910e-01 -5.569794600030e-01 5.990768235400e-01 -1.284137807830e-01 1.122980700310e-01 9.683502025100e-01 -7.874870903800e-01 3*0.0 3.084904887580e-01 2.852260612660e-01 -5.651179425950e-01 -5.427871956800e-01 3.063659351410e-02 -2.588768963870e-01 5.920057941600e-01
|
||||
3*0.0 -5.290571038340e-01 -5.738402408330e-01 6.513682868900e-01 -9.250691005180e-02 1.101291859760e-01 9.257417398510e-01 -7.775875792420e-01 3*0.0 3.197601101860e-01 2.975560367220e-01 -5.662173252500e-01 -5.438781042470e-01 3.413939024940e-02 -2.675893868320e-01 5.911791800360e-01
|
||||
3*0.0 -5.338148182060e-01 -5.896068164210e-01 6.987644887340e-01 -5.759869858550e-02 1.068200863250e-01 8.835467547610e-01 -7.651641623450e-01 3*0.0 3.305085472060e-01 3.096319002740e-01 -5.669606969850e-01 -5.449118118460e-01 3.784827829290e-02 -2.760339261050e-01 5.902487343830e-01
|
||||
3*0.0 -5.370146284330e-01 -6.043014936770e-01 7.412968003260e-01 -2.377121364630e-02 1.024156530120e-01 8.423065917550e-01 -7.509320694460e-01 3*0.0 3.407275600630e-01 3.214472292890e-01 -5.673253212220e-01 -5.458797957070e-01 4.176169018470e-02 -2.842352637200e-01 5.892287670600e-01
|
||||
3*0.0 -5.387395873100e-01 -6.179488206580e-01 7.790400224150e-01 8.909394486120e-03 9.696746434430e-02 8.024617950940e-01 -7.355075443020e-01 3*0.0 3.504102873420e-01 3.329961269570e-01 -5.672914039370e-01 -5.467740676620e-01 4.587736086530e-02 -2.922169579870e-01 5.881333135520e-01
|
||||
3*0.0 -5.390730298720e-01 -6.305751858280e-01 8.121049121730e-01 4.039129448880e-02 9.053217087550e-02 7.643632416540e-01 -7.194149932660e-01 3*0.0 3.595511960110e-01 3.442732108920e-01 -5.668420270630e-01 -5.475871836640e-01 5.019236306420e-02 -3.000011957080e-01 5.869758876280e-01
|
||||
3*0.0 -5.380978794340e-01 -6.422084595420e-01 8.406314871400e-01 7.063547172170e-02 8.317007975000e-02 7.282826639340e-01 -7.030947679350e-01 3*0.0 3.681460304840e-01 3.552736010050e-01 -5.659630613760e-01 -5.483122481500e-01 5.470314382130e-02 -3.076086591610e-01 5.857692874350e-01
|
||||
3*0.0 -5.358960745610e-01 -6.528776738420e-01 8.647830725530e-01 9.961432620530e-02 7.494392406770e-02 6.944225025220e-01 -6.869111841850e-01 3*0.0 3.761917609670e-01 3.659929067850e-01 -5.646430628380e-01 -5.489429138850e-01 5.940556154000e-02 -3.150584341800e-01 5.845254487060e-01
|
||||
3*0.0 -5.325481012670e-01 -6.626127394390e-01 8.847410558270e-01 1.273103710000e-01 6.591780557730e-02 6.629250432480e-01 -6.711605157050e-01 3*0.0 3.836865313210e-01 3.764272140840e-01 -5.628731558910e-01 -5.494733778940e-01 6.429492312720e-02 -3.223679538420e-01 5.832553383900e-01
|
||||
3*0.0 -5.281326203620e-01 -6.714441948210e-01 9.007002896750e-01 1.537150307870e-01 5.615631921380e-02 6.338807718270e-01 -6.560787018670e-01 3*0.0 3.906296066680e-01 3.865730715250e-01 -5.606469070840e-01 -5.498983740370e-01 6.936602062230e-02 -3.295529728930e-01 5.819688842040e-01
|
||||
3*0.0 -5.227261696580e-01 -6.794029891660e-01 9.128651131270e-01 1.788275365830e-01 4.572380047700e-02 6.073360195760e-01 -6.418487075080e-01 3*0.0 3.970213208830e-01 3.964274765890e-01 -5.579601915190e-01 -5.502131627380e-01 7.461316755910e-02 -3.366275681060e-01 5.806749331900e-01
|
||||
3*0.0 -5.164029420500e-01 -6.865202891440e-01 9.214459204150e-01 2.026539167030e-01 3.468372276530e-02 5.832998426600e-01 -6.286073893400e-01 3*0.0 4.028630241710e-01 4.059878614720e-01 -5.548110547540e-01 -5.504135182950e-01 8.003023463250e-02 -3.436041604950e-01 5.793812355540e-01
|
||||
3*0.0 -5.092346154960e-01 -6.928273147410e-01 9.266562415460e-01 2.252060762840e-01 2.309820799590e-02 5.617502000500e-01 -6.164518342490e-01 3*0.0 4.081570308670e-01 4.152520787520e-01 -5.511995721750e-01 -5.504957142310e-01 8.561068492320e-02 -3.504935556830e-01 5.780944490610e-01
|
||||
3*0.0 -5.012902397780e-01 -6.983551944960e-01 9.287102748160e-01 2.465009642210e-01 1.102762689850e-02 5.426394394840e-01 -6.054451540450e-01 3*0.0 4.129065676520e-01 4.242183869420e-01 -5.471277076470e-01 -5.504565070150e-01 9.134760832570e-02 -3.573049989840e-01 5.768201602000e-01
|
||||
3*0.0 -4.926361579900e-01 -7.031348441340e-01 9.278208270960e-01 2.665598195620e-01 -1.469690855520e-03 5.258991584740e-01 -5.956216921890e-01 3*0.0 4.171157222880e-01 4.328854359580e-01 -5.425991729140e-01 -5.502931185130e-01 9.723375565770e-02 -3.640462422030e-01 5.755629186340e-01
|
||||
3*0.0 -4.833359660560e-01 -7.071968613980e-01 9.241976215590e-01 2.854074935210e-01 -1.433767990280e-02 5.114444544320e-01 -5.869917428540e-01 3*0.0 4.207893930910e-01 4.412522525710e-01 -5.376192891300e-01 -5.500032174640e-01 1.032615721360e-01 -3.707236195390e-01 5.743262822970e-01
|
||||
3*0.0 -4.734504979180e-01 -7.105714374460e-01 9.180459165790e-01 3.030718425420e-01 -2.752270937360e-02 4.991776369510e-01 -5.795456912460e-01 3*0.0 4.239332392140e-01 4.493182258530e-01 -5.321948514140e-01 -5.495849002260e-01 1.094232302740e-01 -3.773421302260e-01 5.731128702160e-01
|
||||
3*0.0 -4.630378358830e-01 -7.132882827910e-01 9.095654008100e-01 3.195831865970e-01 -4.097366332250e-02 4.889914313020e-01 -5.732576925180e-01 3*0.0 4.265536319520e-01 4.570830927000e-01 -5.263339973690e-01 -5.490366710400e-01 1.157106622620e-01 -3.839055257630e-01 5.719244211480e-01
|
||||
3*0.0 -4.521533336220e-01 -7.153765656170e-01 8.989493393000e-01 3.349738254450e-01 -5.464201668780e-02 4.807717232200e-01 -5.680888836270e-01 3*0.0 4.286576071300e-01 4.645469234320e-01 -5.200460802050e-01 -5.483574220100e-01 1.221155917050e-01 -3.904164001260e-01 5.707618561310e-01
|
||||
3*0.0 -4.408496578060e-01 -7.168648613680e-01 8.863839139480e-01 3.492776122700e-01 -6.848184686750e-02 4.743999086080e-01 -5.639901765050e-01 3*0.0 4.302528187430e-01 4.717101075210e-01 -5.133415469410e-01 -5.475464129740e-01 1.286295647660e-01 -3.968762813500e-01 5.696253433860e-01
|
||||
3*0.0 -4.291768382140e-01 -7.177811107510e-01 8.720477480530e-01 3.625295758300e-01 -8.244981729700e-02 4.697548730970e-01 -5.609046730120e-01 3*0.0 4.313474939100e-01 4.785733394920e-01 -5.062318220890e-01 -5.466032514190e-01 1.352439805010e-01 -4.032857231590e-01 5.685143642820e-01
|
||||
3*0.0 -4.171823239400e-01 -7.181525876570e-01 8.561115786600e-01 3.747655886480e-01 -9.650514839420e-02 4.667146397520e-01 -5.587697308490e-01 3*0.0 4.319503892640e-01 4.851376050020e-01 -4.987291970530e-01 -5.455278725610e-01 1.419501204700e-01 -4.096443956330e-01 5.674277793320e-01
|
||||
3*0.0 -4.049110494510e-01 -7.180058722150e-01 8.387380570930e-01 3.860220754400e-01 -1.106095616800e-01 4.651577464970e-01 -5.575187252540e-01 3*0.0 4.320707488240e-01 4.914041671440e-01 -4.908467253870e-01 -5.443205197130e-01 1.487391773980e-01 -4.159511739550e-01 5.663638933280e-01
|
||||
3*0.0 -3.924054932380e-01 -7.173668349960e-01 8.200816473050e-01 3.963357604870e-01 -1.247272121300e-01 4.649643823380e-01 -5.570825342300e-01 3*0.0 4.317182634220e-01 4.973745529980e-01 -4.825981239670e-01 -5.429817250270e-01 1.556022829220e-01 -4.222042245470e-01 5.653205189620e-01
|
||||
3*0.0 -3.797057647700e-01 -7.162606156980e-01 8.002886173710e-01 4.057434469830e-01 -1.388246036720e-01 4.660172575270e-01 -5.573907882950e-01 3*0.0 4.309030317080e-01 5.030505404520e-01 -4.739976801000e-01 -5.415122906750e-01 1.625305342760e-01 -4.284010880120e-01 5.642950383320e-01
|
||||
3*0.0 -3.668496523750e-01 -7.147116223870e-01 7.794971017990e-01 4.142818265250e-01 -1.528705165730e-01 4.682023772050e-01 -5.583729004890e-01 3*0.0 4.296355228150e-01 5.084341452900e-01 -4.650601644530e-01 -5.399132705480e-01 1.695150197550e-01 -4.345387584260e-01 5.632844619880e-01
|
||||
3*0.0 -3.538727167030e-01 -7.127435184510e-01 7.578372157380e-01 4.219873154730e-01 -1.668359069240e-01 4.714095728710e-01 -5.599589227850e-01 3*0.0 4.279265405470e-01 5.135276086450e-01 -4.558007497140e-01 -5.381859525070e-01 1.765468432790e-01 -4.406137586400e-01 5.622854851330e-01
|
||||
3*0.0 -3.408083452420e-01 -7.103792257040e-01 7.354312221720e-01 4.288959152980e-01 -1.806938207960e-01 4.755329389230e-01 -5.620802330130e-01 3*0.0 4.257871893570e-01 5.183333846760e-01 -4.462349348250e-01 -5.363318412310e-01 1.836171473040e-01 -4.466222114040e-01 5.612945408270e-01
|
||||
3*0.0 -3.276878350070e-01 -7.076409212410e-01 7.123937265890e-01 4.350430945540e-01 -1.944193001970e-01 4.804711438710e-01 -5.646700907140e-01 3*0.0 4.232288417860e-01 5.228541286660e-01 -4.363784745920e-01 -5.343526416890e-01 1.907171347700e-01 -4.525599061310e-01 5.603078499940e-01
|
||||
3*0.0 -3.145404579220e-01 -7.045500427880e-01 6.888319037140e-01 4.404636892240e-01 -2.079892955340e-01 4.861276439740e-01 -5.676640713510e-01 3*0.0 4.202631075770e-01 5.270926854140e-01 -4.262473144630e-01 -5.322502432450e-01 1.978380895250e-01 -4.584223612400e-01 5.593214681690e-01
|
||||
3*0.0 -3.013935336470e-01 -7.011272924130e-01 6.648457477780e-01 4.451918195320e-01 -2.213825696520e-01 4.924108217460e-01 -5.710004026340e-01 3*0.0 4.169018042860e-01 5.310520780040e-01 -4.158575302710e-01 -5.300267044230e-01 2.049713956040e-01 -4.642048820820e-01 5.583313289680e-01
|
||||
3*0.0 -2.882724956020e-01 -6.973926451380e-01 6.405283311130e-01 4.492608219510e-01 -2.345796196250e-01 4.992340391710e-01 -5.746202095000e-01 3*0.0 4.131569294870e-01 5.347354968820e-01 -4.052252726700e-01 -5.276842383290e-01 2.121085548230e-01 -4.699026144880e-01 5.573332842700e-01
|
||||
3*0.0 -2.752009655960e-01 -6.933653548900e-01 6.159660781620e-01 4.527031942050e-01 -2.475625845350e-01 5.065156619040e-01 -5.784676952410e-01 3*0.0 4.090406343810e-01 5.381462893240e-01 -3.943667160490e-01 -5.252251987260e-01 2.192412033070e-01 -4.755105940240e-01 5.563231411730e-01
|
||||
3*0.0 -2.622008153390e-01 -6.890639668780e-01 5.912390426420e-01 4.555505513560e-01 -2.603151700630e-01 5.141790091260e-01 -5.824902517900e-01 3*0.0 4.045651987990e-01 5.412879492690e-01 -3.832980117060e-01 -5.226520667620e-01 2.263611265910e-01 -4.810237910670e-01 5.552966957780e-01
|
||||
3*0.0 -2.492922380450e-01 -6.845063265000e-01 5.664211904520e-01 4.578335921620e-01 -2.728225671130e-01 5.221522927350e-01 -5.866385281520e-01 3*0.0 3.997430076460e-01 5.441641074530e-01 -3.720352449600e-01 -5.199674383490e-01 2.334602732640e-01 -4.864371518550e-01 5.542497639280e-01
|
||||
3*0.0 -2.364938144460e-01 -6.797095914420e-01 5.415806772880e-01 4.595820746450e-01 -2.850713788080e-01 5.303685044310e-01 -5.908664496700e-01 3*0.0 3.945865285510e-01 5.467785219490e-01 -3.605943960500e-01 -5.171740121670e-01 2.405307674710e-01 -4.917456356840e-01 5.531782089720e-01
|
||||
3*0.0 -2.238225778430e-01 -6.746902444930e-01 5.167801319740e-01 4.608247984450e-01 -2.970495488270e-01 5.387652980380e-01 -5.951312062280e-01 3*0.0 3.891082908010e-01 5.491350690210e-01 -3.489913045630e-01 -5.142745782860e-01 2.475649200720e-01 -4.969442484260e-01 5.520779667200e-01
|
||||
3*0.0 -2.112940781110e-01 -6.694641072530e-01 4.920769327720e-01 4.615895942050e-01 -3.087462952840e-01 5.472848363410e-01 -5.993932100030e-01 3*0.0 3.833208654450e-01 5.512377343140e-01 -3.372416371030e-01 -5.112720073990e-01 2.545552384310e-01 -5.020280725480e-01 5.509450676970e-01
|
||||
3*0.0 -1.989224487110e-01 -6.640463527460e-01 4.675234760850e-01 4.619033197250e-01 -3.201520418490e-01 5.558736418980e-01 -6.036160318590e-01 3*0.0 3.772368464820e-01 5.530906044060e-01 -3.253608581630e-01 -5.081692406360e-01 2.614944356410e-01 -5.069922938720e-01 5.497756567860e-01
|
||||
3*0.0 -1.867204708190e-01 -6.584515197670e-01 4.431674472060e-01 4.617918589950e-01 -3.312583566780e-01 5.644824264990e-01 -6.077663176590e-01 3*0.0 3.708688331010e-01 5.546978586600e-01 -3.133642036950e-01 -5.049692799280e-01 2.683754376480e-01 -5.118322252040e-01 5.485660105710e-01
|
||||
3*0.0 -1.746996329310e-01 -6.526935289970e-01 4.190520739880e-01 4.612801284290e-01 -3.420578925690e-01 5.730659163770e-01 -6.118136912820e-01 3*0.0 3.642294129770e-01 5.560637613750e-01 -3.012666575030e-01 -5.016751789450e-01 2.751913900810e-01 -5.165433271170e-01 5.473125522940e-01
|
||||
3*0.0 -1.628701976220e-01 -6.467856962530e-01 3.952163850670e-01 4.603920836820e-01 -3.525443299950e-01 5.815826719870e-01 -6.157306441040e-01 3*0.0 3.573311462920e-01 5.571926543390e-01 -2.890829300590e-01 -4.982900345390e-01 2.819356638940e-01 -5.211212260240e-01 5.460118647310e-01
|
||||
3*0.0 -1.512412600780e-01 -6.407407490760e-01 3.716954504390e-01 4.591507327620e-01 -3.627123303110e-01 5.899949099360e-01 -6.194924216030e-01 3*0.0 3.501865510720e-01 5.580889494690e-01 -2.768274396810e-01 -4.948169786990e-01 2.886018598340e-01 -5.255617297310e-01 5.446607010650e-01
|
||||
3*0.0 -1.398208125720e-01 -6.345708405850e-01 3.485206184910e-01 4.575781494170e-01 -3.725574555980e-01 5.982683243440e-01 -6.230768952240e-01 3*0.0 3.428080886920e-01 5.587571220520e-01 -2.645142958110e-01 -4.912591709840e-01 2.951838123540e-01 -5.298608407620e-01 5.432559939340e-01
|
||||
3*0.0 -1.286157990110e-01 -6.282875676840e-01 3.257197470860e-01 4.556954900160e-01 -3.820761536190e-01 6.063719031060e-01 -6.264644405580e-01 3*0.0 3.352081507720e-01 5.592017039620e-01 -2.521572843050e-01 -4.876197914400e-01 3.016755923810e-01 -5.340147674220e-01 5.417948627080e-01
|
||||
3*0.0 -1.176321789220e-01 -6.219019845560e-01 3.033174216270e-01 4.535230121050e-01 -3.912656796450e-01 6.142777500100e-01 -6.296378033140e-01 3*0.0 3.273990464980e-01 5.594272773090e-01 -2.397698546160e-01 -4.839020339240e-01 3.080715096240e-01 -5.380199330570e-01 5.402746192520e-01
|
||||
3*0.0 -1.068749836880e-01 -6.154246195420e-01 2.813351660990e-01 4.510800948210e-01 -4.001240726070e-01 6.219609175540e-01 -6.325819735420e-01 3*0.0 3.193929905540e-01 5.594384683510e-01 -2.273651086010e-01 -4.801090998970e-01 3.143661139190e-01 -5.418729833940e-01 5.386927721610e-01
|
||||
3*0.0 -9.634837061530e-02 -6.088654916330e-01 2.597916490000e-01 4.483852596400e-01 -4.086500809780e-01 6.293992257240e-01 -6.352840515880e-01 3*0.0 3.112020919870e-01 5.592399415440e-01 -2.149557910200e-01 -4.762441925750e-01 3.205541959270e-01 -5.455707923320e-01 5.370470297060e-01
|
||||
3*0.0 -8.605568298930e-02 -6.022341252630e-01 2.387028761250e-01 4.454561936680e-01 -4.168431533470e-01 6.365731068660e-01 -6.377331227620e-01 3*0.0 3.028383433960e-01 5.588363939540e-01 -2.025542814100e-01 -4.723105115020e-01 3.266307875640e-01 -5.491104661840e-01 5.353353015240e-01
|
||||
3*0.0 -7.599950076660e-02 -5.955395670530e-01 2.180823776050e-01 4.423097720080e-01 -4.247033597410e-01 6.434654335770e-01 -6.399201272980e-01 3*0.0 2.943136108480e-01 5.582325498110e-01 -1.901725873970e-01 -4.683112474610e-01 3.325911613740e-01 -5.524893466190e-01 5.335556992100e-01
|
||||
3*0.0 -6.618169299650e-02 -5.887904020640e-01 1.979413861030e-01 4.389620825940e-01 -4.322313783070e-01 6.500613740700e-01 -6.418377400000e-01 3*0.0 2.856396242800e-01 5.574331553430e-01 -1.778223391950e-01 -4.642495777570e-01 3.384308298380e-01 -5.557050123540e-01 5.317065359020e-01
|
||||
3*0.0 -5.660347119450e-02 -5.819947687040e-01 1.782890068020e-01 4.354284497330e-01 -4.394284420990e-01 6.563482356190e-01 -6.434802480080e-01 3*0.0 2.768279683730e-01 5.564429738050e-01 -1.655147853080e-01 -4.601286618150e-01 3.441455439690e-01 -5.587552797390e-01 5.297863249380e-01
|
||||
3*0.0 -4.726543732310e-02 -5.751603750460e-01 1.591323779050e-01 4.317234593410e-01 -4.462962985980e-01 6.623153186440e-01 -6.448434327800e-01 3*0.0 2.678900741230e-01 5.552667806350e-01 -1.532607893210e-01 -4.559516370910e-01 3.497312916160e-01 -5.616382023910e-01 5.277937777150e-01
|
||||
3*0.0 -3.816763064650e-02 -5.682945145580e-01 1.404768282220e-01 4.278609826730e-01 -4.528371807650e-01 6.679537802260e-01 -6.459244585630e-01 3*0.0 2.588372105920e-01 5.539093589550e-01 -1.410708276270e-01 -4.517216152950e-01 3.551842953040e-01 -5.643520698660e-01 5.257278007860e-01
|
||||
3*0.0 -2.930957565310e-02 -5.614040809230e-01 1.223260174890e-01 4.238542025380e-01 -4.590537652790e-01 6.732565030750e-01 -6.467217620420e-01 3*0.0 2.496804772860e-01 5.523754951220e-01 -1.289549881330e-01 -4.474416788860e-01 3.605010099170e-01 -5.668954056470e-01 5.235874923550e-01
|
||||
3*0.0 -2.069032530950e-02 -5.544955838930e-01 1.046820802690e-01 4.197156366080e-01 -4.649491385250e-01 6.782179657400e-01 -6.472349503530e-01 3*0.0 2.404307969440e-01 5.506699745200e-01 -1.169229697740e-01 -4.431148778340e-01 3.656781198380e-01 -5.692669643300e-01 5.213721381470e-01
|
||||
3*0.0 -1.230850314150e-02 -5.475751639110e-01 8.754575339670e-02 4.154571626650e-01 -4.705267646060e-01 6.828341207970e-01 -6.474646983950e-01 3*0.0 2.310989087080e-01 5.487975775230e-01 -1.049840828220e-01 -4.387442266470e-01 3.707125360220e-01 -5.714657282380e-01 5.190812068110e-01
|
||||
3*0.0 -4.162342923090e-03 -5.406486074480e-01 7.091650101060e-02 4.110900427070e-01 -4.757904517530e-01 6.871022817460e-01 -6.474126559280e-01 3*0.0 2.216953616660e-01 5.467630756300e-01 -9.314724991280e-02 -4.343327016300e-01 3.756013927560e-01 -5.734909034950e-01 5.167143448820e-01
|
||||
3*0.0 3.750269294210e-03 -5.337213601570e-01 5.479263124880e-02 4.066249466030e-01 -4.807443202590e-01 6.910210084780e-01 -6.470813553870e-01 3*0.0 2.122305089160e-01 5.445712277090e-01 -8.142100775340e-02 -4.298832383700e-01 3.803420442180e-01 -5.753419155810e-01 5.142713713540e-01
|
||||
3*0.0 1.143176256960e-02 -5.267985428270e-01 3.917140506160e-02 4.020719760370e-01 -4.853927784190e-01 6.945900107890e-01 -6.464741277190e-01 3*0.0 2.027145018070e-01 5.422267764840e-01 -6.981350942330e-02 -4.253987294490e-01 3.849320608300e-01 -5.770184045230e-01 5.117522719660e-01
|
||||
3*0.0 1.888484493300e-02 -5.198849646150e-01 2.404914082310e-02 3.974406872490e-01 -4.897404860680e-01 6.978100425810e-01 -6.455950196930e-01 3*0.0 1.931572847630e-01 5.397344450740e-01 -5.833252725470e-02 -4.208820223490e-01 3.893692255280e-01 -5.785202196570e-01 5.091571931810e-01
|
||||
3*0.0 2.611247040840e-02 -5.129851364860e-01 9.421310504700e-03 3.927401136690e-01 -4.937923355120e-01 7.006828102500e-01 -6.444487179530e-01 3*0.0 1.835685902740e-01 5.370989337630e-01 -4.698545622220e-02 -4.163359175580e-01 3.936515297720e-01 -5.798474141630e-01 5.064864360080e-01
|
||||
3*0.0 3.311780612570e-02 -5.061032838570e-01 -4.717371800570e-03 3.879787884850e-01 -4.975534180880e-01 7.032108881650e-01 -6.430404772300e-01 3*0.0 1.739579343950e-01 5.343249168440e-01 -3.577931783140e-02 -4.117631668550e-01 3.977771695720e-01 -5.810002392620e-01 5.037404495970e-01
|
||||
3*0.0 3.990420758470e-02 -4.992433613430e-01 -1.837286238550e-02 3.831647655600e-01 -5.010290047510e-01 7.053976322210e-01 -6.413760520820e-01 3*0.0 1.643346125560e-01 5.314170396140e-01 -2.472076442660e-02 -4.071664717700e-01 4.017445412790e-01 -5.819791382440e-01 5.009198247450e-01
|
||||
3*0.0 4.647519042150e-02 -4.924090646130e-01 -3.155170967390e-02 3.783056407170e-01 -5.042245239200e-01 7.072471011100e-01 -6.394616341900e-01 3*0.0 1.547076955620e-01 5.283799155500e-01 -1.381608390380e-02 -4.025484822120e-01 4.055522373690e-01 -5.827847402990e-01 4.980252872970e-01
|
||||
3*0.0 5.283440014880e-02 -4.856038411090e-01 -4.426098307630e-02 3.734085722470e-01 -5.071455346440e-01 7.087639862360e-01 -6.373037923620e-01 3*0.0 1.450860261820e-01 5.252181235350e-01 -3.071204806230e-03 -3.979117952450e-01 4.091990421200e-01 -5.834178541840e-01 4.950576914830e-01
|
||||
3*0.0 5.898559620310e-02 -4.788309044000e-01 -5.650820435070e-02 3.684803008860e-01 -5.097977104440e-01 7.099535420860e-01 -6.349094188570e-01 3*0.0 1.354782159530e-01 5.219362052330e-01 7.508298247460e-03 -3.932589540080e-01 4.126839272870e-01 -5.838794618150e-01 4.920180132430e-01
|
||||
3*0.0 6.493262602930e-02 -4.720932444100e-01 -6.830128064290e-02 3.635271680360e-01 -5.121868141620e-01 7.108215194720e-01 -6.322856762620e-01 3*0.0 1.258926421590e-01 5.185386626450e-01 1.791719883760e-02 -3.885924467880e-01 4.160060475910e-01 -5.841707117430e-01 4.889073435490e-01
|
||||
3*0.0 7.067940524220e-02 -4.653936383540e-01 -7.964845325990e-02 3.585551357810e-01 -5.143186871180e-01 7.113741099780e-01 -6.294399518860e-01 3*0.0 1.163374454620e-01 5.150299556610e-01 2.815061273910e-02 -3.839147062080e-01 4.191647362500e-01 -5.842929125650e-01 4.857268817430e-01
|
||||
3*0.0 7.622990062020e-02 -4.587346623520e-01 -9.055823722030e-02 3.535698034900e-01 -5.161992259210e-01 7.116178851930e-01 -6.263798128080e-01 3*0.0 1.068205275360e-01 5.114144998570e-01 3.820399163850e-02 -3.792281085440e-01 4.221595005190e-01 -5.842475263390e-01 4.824779289500e-01
|
||||
3*0.0 8.158811167080e-02 -4.521187007240e-01 -1.010393776430e-01 3.485764261970e-01 -5.178343698030e-01 7.115597504500e-01 -6.231129662230e-01 3*0.0 9.734954920740e-02 5.076966643060e-01 4.807311666540e-02 -3.745349731620e-01 4.249900170780e-01 -5.840361619170e-01 4.791618815300e-01
|
||||
3*0.0 8.675805828860e-02 -4.455479575920e-01 -1.111007999790e-01 3.435799304310e-01 -5.192300835560e-01 7.112068915390e-01 -6.196472215270e-01 3*0.0 8.793192879970e-02 5.038807695520e-01 5.775409167440e-02 -3.698375620580e-01 4.276561275440e-01 -5.836605683670e-01 4.757802246570e-01
|
||||
3*0.0 9.174376268100e-02 -4.390244643580e-01 -1.207515718900e-01 3.385849309210e-01 -5.203923462140e-01 7.105667329670e-01 -6.159904569880e-01 3*0.0 7.857484093440e-02 4.999710856350e-01 6.724333639270e-02 -3.651380795080e-01 4.301578337930e-01 -5.831226283150e-01 4.723345259620e-01
|
||||
3*0.0 9.654924139810e-02 -4.325500909890e-01 -1.300008641670e-01 3.335957457150e-01 -5.213271361170e-01 7.096468965660e-01 -6.121505889560e-01 3*0.0 6.928521543320e-02 4.959718302830e-01 7.653757935220e-02 -3.604386718110e-01 4.324952934770e-01 -5.824243514160e-01 4.688264293290e-01
|
||||
3*0.0 1.011784923380e-01 -4.261265540300e-01 -1.388579174660e-01 3.286164112790e-01 -5.220404201470e-01 7.084551633000e-01 -6.081355426790e-01 3*0.0 6.006973658560e-02 4.918871672060e-01 8.563385072920e-02 -3.557414271260e-01 4.346688153470e-01 -5.815678678120e-01 4.652576488060e-01
|
||||
3*0.0 1.056354839260e-01 -4.197554246730e-01 -1.473320104960e-01 3.236506965520e-01 -5.225381443110e-01 7.069994379540e-01 -6.039532275490e-01 3*0.0 5.093484282450e-02 4.877212044060e-01 9.452947503850e-02 -3.510483753950e-01 4.366788546640e-01 -5.805554216650e-01 4.616299626560e-01
|
||||
3*0.0 1.099241483480e-01 -4.134381376150e-01 -1.554324317890e-01 3.187021166060e-01 -5.228262214080e-01 7.052877180950e-01 -5.996115139040e-01 3*0.0 4.188672659950e-02 4.834779926540e-01 1.032220637140e-01 -3.463614883480e-01 4.385260086830e-01 -5.793893647790e-01 4.579452075720e-01
|
||||
3*0.0 1.140483727200e-01 -4.071759986000e-01 -1.631684574390e-01 3.137739460610e-01 -5.229105250450e-01 7.033280623640e-01 -5.951182121010e-01 3*0.0 3.293133444180e-02 4.791615240700e-01 1.117095076210e-01 -3.416826795850e-01 4.402110119570e-01 -5.780721502790e-01 4.542052730370e-01
|
||||
3*0.0 1.180119932380e-01 -4.009701916820e-01 -1.705493248950e-01 3.088692313490e-01 -5.227968788190e-01 7.011285700870e-01 -5.904810541590e-01 3*0.0 2.407436745800e-02 4.747757307590e-01 1.199899694810e-01 -3.370138047260e-01 4.417347318320e-01 -5.766063264000e-01 4.504120958580e-01
|
||||
3*0.0 1.218187902210e-01 -3.948217865170e-01 -1.775842146030e-01 3.039908024770e-01 -5.224910529860e-01 6.986973488030e-01 -5.857076770250e-01 3*0.0 1.532128201230e-02 4.703244835420e-01 1.280618762530e-01 -3.323566616360e-01 4.430981638570e-01 -5.749945303530e-01 4.465676548710e-01
|
||||
3*0.0 1.254724818030e-01 -3.887317451850e-01 -1.842822343600e-01 2.991412852560e-01 -5.219987519170e-01 6.960424984690e-01 -5.808056082070e-01 3*0.0 6.677290663920e-03 4.658115908190e-01 1.359239114460e-01 -3.277129907060e-01 4.443024272600e-01 -5.732394823150e-01 4.426739658130e-01
|
||||
3*0.0 1.289767212850e-01 -3.827009280010e-01 -1.906524003750e-01 2.943231115030e-01 -5.213256173850e-01 6.931720879860e-01 -5.757822528230e-01 3*0.0 -1.852636603060e-03 4.612407974630e-01 1.435750074320e-01 -3.230844751960e-01 4.453487603910e-01 -5.713439795180e-01 4.387330763840e-01
|
||||
3*0.0 1.323350938500e-01 -3.767301005530e-01 -1.967036265930e-01 2.895385297590e-01 -5.204772147520e-01 6.900941397330e-01 -5.706448827050e-01 3*0.0 -1.026377091520e-02 4.566157838270e-01 1.510143377230e-01 -3.184727416360e-01 4.462385162400e-01 -5.693108904570e-01 4.347470614760e-01
|
||||
3*0.0 1.355511148780e-01 -3.708199388290e-01 -2.024447105390e-01 2.847896154240e-01 -5.194590347800e-01 6.868166139520e-01 -5.654006264100e-01 3*0.0 -1.855162285310e-02 4.519401648570e-01 1.582413092480e-01 -3.138793602730e-01 4.469731579360e-01 -5.671431492110e-01 4.307180185940e-01
|
||||
3*0.0 1.386282262230e-01 -3.649710348170e-01 -2.078843254910e-01 2.800782798880e-01 -5.182764866540e-01 6.833473907390e-01 -5.600564609450e-01 3*0.0 -2.671194044430e-02 4.472174892300e-01 1.652555546370e-01 -3.093058455720e-01 4.475542543280e-01 -5.648437499060e-01 4.266480634540e-01
|
||||
3*0.0 1.415697974640e-01 -3.591839017430e-01 -2.130310096440e-01 2.754062798010e-01 -5.169348977960e-01 6.796942626990e-01 -5.546192053220e-01 3*0.0 -3.474070713640e-02 4.424512386610e-01 1.720569245260e-01 -3.047536567590e-01 4.479834755070e-01 -5.624157412840e-01 4.225393257640e-01
|
||||
3*0.0 1.443791239280e-01 -3.534589793290e-01 -2.178931611240e-01 2.707752257190e-01 -5.154395097160e-01 6.758649204280e-01 -5.490955131790e-01 3*0.0 -4.263413927240e-02 4.376448271730e-01 1.786454798790e-01 -3.002241984050e-01 4.482625884800e-01 -5.598622214110e-01 4.183939451730e-01
|
||||
3*0.0 1.470594249500e-01 -3.477966374340e-01 -2.224790308980e-01 2.661865902080e-01 -5.137954706270e-01 6.718669423600e-01 -5.434918733770e-01 3*0.0 -5.038868363440e-02 4.328016005600e-01 1.850214843650e-01 -2.957188210510e-01 4.483934527430e-01 -5.571863325520e-01 4.142140674760e-01
|
||||
3*0.0 1.496138483030e-01 -3.421971820520e-01 -2.267967175070e-01 2.616417154270e-01 -5.120078446940e-01 6.677077880120e-01 -5.378145974050e-01 3*0.0 -5.800101461280e-02 4.279248358420e-01 1.911853967630e-01 -2.912388218660e-01 4.483780159940e-01 -5.543912560990e-01 4.100018408450e-01
|
||||
3*0.0 1.520454676980e-01 -3.366608583470e-01 -2.308541632610e-01 2.571418206510e-01 -5.100816065910e-01 6.633947903890e-01 -5.320698244480e-01 3*0.0 -6.546803127890e-02 4.230177408560e-01 1.971378634410e-01 -2.867854453480e-01 4.482183099040e-01 -5.514802077300e-01 4.057594123840e-01
|
||||
3*0.0 1.543572812090e-01 -3.311878537730e-01 -2.346591542970e-01 2.526880097950e-01 -5.080216343550e-01 6.589351506280e-01 -5.262635161310e-01 3*0.0 -7.278685415300e-02 4.180834538400e-01 2.028797108690e-01 -2.823598840290e-01 4.479164458000e-01 -5.484564326460e-01 4.014889247930e-01
|
||||
3*0.0 1.565522192140e-01 -3.257783039040e-01 -2.382193136020e-01 2.482812769630e-01 -5.058327123910e-01 6.543359296750e-01 -5.204014560060e-01 3*0.0 -7.995482198700e-02 4.131250431870e-01 2.084119382520e-01 -2.779632792440e-01 4.474746104210e-01 -5.453232009760e-01 3.971925132170e-01
|
||||
3*0.0 1.586331378940e-01 -3.204322940010e-01 -2.415421059610e-01 2.439225140730e-01 -5.035195369530e-01 6.496040460170e-01 -5.144892482890e-01 3*0.0 -8.696948827200e-02 4.081455072050e-01 2.137357102060e-01 -2.735967219070e-01 4.468950619500e-01 -5.420838033030e-01 3.928723022410e-01
|
||||
3*0.0 1.606028296810e-01 -3.151498637910e-01 -2.446348291880e-01 2.396125153400e-01 -5.010867118460e-01 6.447462727600e-01 -5.085323179860e-01 3*0.0 -9.382861749850e-02 4.031477739210e-01 2.188523494930e-01 -2.692612532890e-01 4.461801257300e-01 -5.387415463610e-01 3.885304030880e-01
|
||||
3*0.0 1.624640160420e-01 -3.099310092360e-01 -2.475046224550e-01 2.353519844290e-01 -4.985387445490e-01 6.397692337650e-01 -5.025359136220e-01 3*0.0 -1.005301814870e-01 3.981347010170e-01 2.237633299420e-01 -2.649578658680e-01 4.453321903180e-01 -5.352997488330e-01 3.841689109450e-01
|
||||
3*0.0 1.642193542150e-01 -3.047756858510e-01 -2.501584620880e-01 2.311415389540e-01 -4.958800519430e-01 6.346794020280e-01 -4.965051053550e-01 3*0.0 -1.070723554630e-01 3.931090758000e-01 2.284702693590e-01 -2.606875041480e-01 4.443537034270e-01 -5.317617373270e-01 3.797899024620e-01
|
||||
3*0.0 1.658714392380e-01 -2.996838116970e-01 -2.526031624590e-01 2.269817156060e-01 -4.931149665140e-01 6.294830971990e-01 -4.904447880110e-01 3*0.0 -1.134535139380e-01 3.880736151960e-01 2.329749226000e-01 -2.564510655210e-01 4.432471680240e-01 -5.281308424830e-01 3.753954334090e-01
|
||||
3*0.0 1.674228028830e-01 -2.946552693690e-01 -2.548453805410e-01 2.228729754890e-01 -4.902477181930e-01 6.241864866770e-01 -4.843596838120e-01 3*0.0 -1.196722266540e-01 3.830309658760e-01 2.372791747540e-01 -2.522494011410e-01 4.420151384560e-01 -5.244103952030e-01 3.709875364640e-01
|
||||
3*0.0 1.688759189260e-01 -2.896899088030e-01 -2.568916147110e-01 2.188157082480e-01 -4.872824552210e-01 6.187955821930e-01 -4.782543421400e-01 3*0.0 -1.257272542570e-01 3.779837043740e-01 2.413850344170e-01 -2.480833168050e-01 4.406602165280e-01 -5.206037230500e-01 3.665682191650e-01
|
||||
3*0.0 1.702332054680e-01 -2.847875504190e-01 -2.587482071150e-01 2.148102363230e-01 -4.842232359600e-01 6.133162428940e-01 -4.721331443680e-01 3*0.0 -1.316175439570e-01 3.729343372940e-01 2.452946270950e-01 -2.439535738520e-01 4.391850478060e-01 -5.167141467630e-01 3.621394619970e-01
|
||||
3*0.0 1.714970220440e-01 -2.799479841890e-01 -2.604213462260e-01 2.108568192530e-01 -4.810740348840e-01 6.077541729370e-01 -4.660003051290e-01 3*0.0 -1.373422250610e-01 3.678853015580e-01 2.490101887060e-01 -2.398608900600e-01 4.375923179810e-01 -5.127449769290e-01 3.577032166100e-01
|
||||
3*0.0 1.726696782710e-01 -2.751709753100e-01 -2.619170700120e-01 2.069556575410e-01 -4.778387340490e-01 6.021149238620e-01 -4.598598759950e-01 3*0.0 -1.429006044820e-01 3.628389647240e-01 2.525340592580e-01 -2.358059405700e-01 4.358847490900e-01 -5.086995107790e-01 3.532614041720e-01
|
||||
3*0.0 1.737534306580e-01 -2.704562633470e-01 -2.632412675540e-01 2.031068962660e-01 -4.745211348860e-01 5.964038966190e-01 -4.537157491750e-01 3*0.0 -1.482921620800e-01 3.577976253280e-01 2.558686766090e-01 -2.317893588040e-01 4.340650960160e-01 -5.045810291250e-01 3.488159138600e-01
|
||||
3*0.0 1.747504876060e-01 -2.658035652240e-01 -2.643996823780e-01 1.993106283920e-01 -4.711249561470e-01 5.906263388410e-01 -4.475716583010e-01 3*0.0 -1.535165460520e-01 3.527635132880e-01 2.590165703510e-01 -2.278117373820e-01 4.321361430370e-01 -5.003927934340e-01 3.443686014560e-01
|
||||
3*0.0 1.756630101210e-01 -2.612125763390e-01 -2.653979138660e-01 1.955668981540e-01 -4.676538333200e-01 5.847873511250e-01 -4.414311851150e-01 3*0.0 -1.585735681910e-01 3.477387903600e-01 2.619803558790e-01 -2.238736290610e-01 4.301007002610e-01 -4.961380430410e-01 3.399212880860e-01
|
||||
3*0.0 1.764931145630e-01 -2.566829727790e-01 -2.662414229520e-01 1.918757042730e-01 -4.641113198620e-01 5.788918857750e-01 -4.352977607180e-01 3*0.0 -1.634631991060e-01 3.427255506180e-01 2.647627285540e-01 -2.199755476640e-01 4.279616004240e-01 -4.918199924650e-01 3.354757590450e-01
|
||||
3*0.0 1.772428725880e-01 -2.522144110670e-01 -2.669355317180e-01 1.882370026090e-01 -4.605008949060e-01 5.729447492140e-01 -4.291746693270e-01 3*0.0 -1.681855634590e-01 3.377258210030e-01 2.673664579940e-01 -2.161179690070e-01 4.257216954750e-01 -4.874418289070e-01 3.310337627590e-01
|
||||
3*0.0 1.779143150810e-01 -2.478065313840e-01 -2.674854285570e-01 1.846507089590e-01 -4.568259540020e-01 5.669506046640e-01 -4.230650531010e-01 3*0.0 -1.727409351260e-01 3.327415619000e-01 2.697943825600e-01 -2.123013318450e-01 4.233838534300e-01 -4.830067098140e-01 3.265970098360e-01
|
||||
3*0.0 1.785094324490e-01 -2.434589576550e-01 -2.678961709990e-01 1.811167019560e-01 -4.530898211260e-01 5.609139740380e-01 -4.169719143430e-01 3*0.0 -1.771297322930e-01 3.277746677270e-01 2.720494039100e-01 -2.085260387880e-01 4.209509552070e-01 -4.785177606260e-01 3.221671722330e-01
|
||||
3*0.0 1.790301773070e-01 -2.391712993440e-01 -2.681726871930e-01 1.776348251090e-01 -4.492957443690e-01 5.548392399540e-01 -4.108981200500e-01 3*0.0 -1.813525126620e-01 3.228269676120e-01 2.741344817590e-01 -2.047924572460e-01 4.184258916210e-01 -4.739780726000e-01 3.177458825010e-01
|
||||
3*0.0 1.794784642190e-01 -2.349431515550e-01 -2.683197807120e-01 1.742048893500e-01 -4.454468968390e-01 5.487306480970e-01 -4.048464050030e-01 3*0.0 -1.854099685400e-01 3.179002260720e-01 2.760526287430e-01 -2.011009203510e-01 4.158115603370e-01 -4.693907007880e-01 3.133347331460e-01
|
||||
3*0.0 1.798561728060e-01 -2.307740971090e-01 -2.683421322880e-01 1.708266752540e-01 -4.415463818300e-01 5.425923099260e-01 -3.988193758880e-01 3*0.0 -1.893029219710e-01 3.129961437280e-01 2.778069054260e-01 -1.974517278720e-01 4.131108630550e-01 -4.647586621220e-01 3.089352760660e-01
|
||||
3*0.0 1.801651483240e-01 -2.266637069480e-01 -2.682443026320e-01 1.674999349470e-01 -4.375972303970e-01 5.364282049570e-01 -3.928195146270e-01 3*0.0 -1.930323198620e-01 3.081163580530e-01 2.794004154870e-01 -1.938451471520e-01 4.103267025440e-01 -4.600849336060e-01 3.045490220760e-01
|
||||
3*0.0 1.804072030520e-01 -2.226115411260e-01 -2.680307362580e-01 1.642243942020e-01 -4.336024048960e-01 5.302421833600e-01 -3.868491819450e-01 3*0.0 -1.965992291370e-01 3.032624441540e-01 2.808363009970e-01 -1.902814140020e-01 4.074619801360e-01 -4.553724506460e-01 3.001774405150e-01
|
||||
3*0.0 1.805841170700e-01 -2.186171495280e-01 -2.677057632540e-01 1.609997542920e-01 -4.295647979700e-01 5.240379679740e-01 -3.809106213250e-01 3*0.0 -2.000048319090e-01 2.984359155840e-01 2.821177378810e-01 -1.867607336210e-01 4.045195928540e-01 -4.506241054710e-01 2.958219589400e-01
|
||||
3*0.0 1.806976401250e-01 -2.146800728990e-01 -2.672736023320e-01 1.578256935390e-01 -4.254872381990e-01 5.178191577180e-01 -3.750059617920e-01 3*0.0 -2.032504206510e-01 2.936382251660e-01 2.832479315200e-01 -1.832832814900e-01 4.015024309620e-01 -4.458427456660e-01 2.914839628690e-01
|
||||
3*0.0 1.807494911600e-01 -2.107998430790e-01 -2.667383641830e-01 1.547018693120e-01 -4.213724865190e-01 5.115892305990e-01 -3.691372224110e-01 3*0.0 -2.063373934370e-01 2.888707658560e-01 2.842301124600e-01 -1.798492042630e-01 3.984133754380e-01 -4.410311728300e-01 2.871647956320e-01
|
||||
3*0.0 1.807413612100e-01 -2.069759844220e-01 -2.661040522430e-01 1.516279191700e-01 -4.172232379310e-01 5.053515435340e-01 -3.633063147110e-01 3*0.0 -2.092672491970e-01 2.841348716280e-01 2.850675323170e-01 -1.764586206580e-01 3.952552955780e-01 -4.361921413090e-01 2.828657582530e-01
|
||||
3*0.0 1.806749123220e-01 -2.032080137310e-01 -2.653745672860e-01 1.486034626490e-01 -4.130421285620e-01 4.991093382960e-01 -3.575150463920e-01 3*0.0 -2.120415830060e-01 2.794318183570e-01 2.857634597630e-01 -1.731116223160e-01 3.920310467080e-01 -4.313283570610e-01 2.785881094210e-01
|
||||
3*0.0 1.805517796660e-01 -1.994954412670e-01 -2.645537085340e-01 1.456281025110e-01 -4.088317263300e-01 4.928657417450e-01 -3.517651249410e-01 3*0.0 -2.146620814350e-01 2.747628247580e-01 2.863211767130e-01 -1.698082746830e-01 3.887434678800e-01 -4.264424765940e-01 2.743330655090e-01
|
||||
3*0.0 1.803735714910e-01 -1.958377712840e-01 -2.636451764730e-01 1.427014260930e-01 -4.045945419320e-01 4.866237694070e-01 -3.460581605160e-01 3*0.0 -2.171305179660e-01 2.701290533190e-01 2.867439746060e-01 -1.665486178520e-01 3.853953798170e-01 -4.215371060150e-01 2.701018006470e-01
|
||||
3*0.0 1.801418697710e-01 -1.922345023400e-01 -2.626525752830e-01 1.398230065210e-01 -4.003330249450e-01 4.803863278720e-01 -3.403956688500e-01 3*0.0 -2.194487484160e-01 2.655316112500e-01 2.870351508480e-01 -1.633326674160e-01 3.819895827170e-01 -4.166148001670e-01 2.658954468670e-01
|
||||
3*0.0 1.798582316040e-01 -1.886851283010e-01 -2.615794145310e-01 1.369924039000e-01 -3.960495635560e-01 4.741562166680e-01 -3.347790753310e-01 3*0.0 -2.216187064920e-01 2.609715514600e-01 2.871980053730e-01 -1.601604152920e-01 3.785288544100e-01 -4.116780618610e-01 2.617150942750e-01
|
||||
3*0.0 1.795241878580e-01 -1.851891380660e-01 -2.604291121880e-01 1.342091664540e-01 -3.917464895980e-01 4.679361312570e-01 -3.292097166690e-01 3*0.0 -2.236423993240e-01 2.564498735310e-01 2.872358373610e-01 -1.570318305520e-01 3.750159483520e-01 -4.067293411890e-01 2.575617912920e-01
|
||||
3*0.0 1.791412459200e-01 -1.817460167880e-01 -2.592049958190e-01 1.314728314680e-01 -3.874260757340e-01 4.617286654310e-01 -3.236888450950e-01 3*0.0 -2.255219031370e-01 2.519675247190e-01 2.871519420690e-01 -1.539468602250e-01 3.714535918690e-01 -4.017710349250e-01 2.534365449200e-01
|
||||
3*0.0 1.787108882630e-01 -1.783552458270e-01 -2.579103055460e-01 1.287829264450e-01 -3.830905393030e-01 4.555363137380e-01 -3.182176303810e-01 3*0.0 -2.272593589600e-01 2.475254009550e-01 2.869496077990e-01 -1.509054300990e-01 3.678444844380e-01 -3.968054860130e-01 2.493403210700e-01
|
||||
3*0.0 1.782345735780e-01 -1.750163032630e-01 -2.565481948170e-01 1.261389698200e-01 -3.787420395280e-01 4.493614730260e-01 -3.127971631570e-01 3*0.0 -2.288569684260e-01 2.431243478660e-01 2.866321130120e-01 -1.479074455040e-01 3.641912959270e-01 -3.918349831280e-01 2.452740449190e-01
|
||||
3*0.0 1.777137372920e-01 -1.717286644430e-01 -2.551217336300e-01 1.235404720690e-01 -3.743826830130e-01 4.432064457870e-01 -3.074284572460e-01 3*0.0 -2.303169896140e-01 2.387651617840e-01 2.862027235370e-01 -1.449527920840e-01 3.604966651520e-01 -3.868617603130e-01 2.412386013000e-01
|
||||
3*0.0 1.771497913480e-01 -1.684918022440e-01 -2.536339093340e-01 1.209869363470e-01 -3.700145199590e-01 4.370734417600e-01 -3.021124526720e-01 3*0.0 -2.316417330240e-01 2.344485907860e-01 2.856646899350e-01 -1.420413365610e-01 3.567631983480e-01 -3.818879966960e-01 2.372348351350e-01
|
||||
3*0.0 1.765441241630e-01 -1.653051871440e-01 -2.520876292680e-01 1.184778594600e-01 -3.656395477140e-01 4.309645807560e-01 -2.968500181240e-01 3*0.0 -2.328335575770e-01 2.301753357200e-01 2.850212449700e-01 -1.391729274730e-01 3.529934677170e-01 -3.769158162760e-01 2.332635518980e-01
|
||||
3*0.0 1.758981021280e-01 -1.621682882520e-01 -2.504857215960e-01 1.160127324190e-01 -3.612597112840e-01 4.248818938880e-01 -2.916419534890e-01 3*0.0 -2.338948667530e-01 2.259460512490e-01 2.842756012080e-01 -1.363473959140e-01 3.491900101600e-01 -3.719472877750e-01 2.293255181050e-01
|
||||
3*0.0 1.752130683970e-01 -1.590805728640e-01 -2.488309379560e-01 1.135910413330e-01 -3.568769020910e-01 4.188273268510e-01 -2.864889923390e-01 3*0.0 -2.348281047630e-01 2.217613468820e-01 2.834309487310e-01 -1.335645562500e-01 3.453553259640e-01 -3.669844245540e-01 2.254214618330e-01
|
||||
3*0.0 1.744903435410e-01 -1.560415073420e-01 -2.471259542280e-01 1.112122678960e-01 -3.524929602090e-01 4.128027411590e-01 -2.813918043080e-01 3*0.0 -2.356357528550e-01 2.176217880280e-01 2.824904529660e-01 -1.308242068230e-01 3.414918776920e-01 -3.620291846030e-01 2.215520732650e-01
|
||||
3*0.0 1.737312259870e-01 -1.530505570420e-01 -2.453733726970e-01 1.088758901740e-01 -3.481096759680e-01 4.068099165310e-01 -2.763509973040e-01 3*0.0 -2.363203256770e-01 2.135278970280e-01 2.814572526330e-01 -1.281261306470e-01 3.376020890110e-01 -3.570834705790e-01 2.177180052580e-01
|
||||
3*0.0 1.729369920540e-01 -1.501071867940e-01 -2.435757233840e-01 1.065813830940e-01 -3.437287881170e-01 4.008505531200e-01 -2.713671199930e-01 3*0.0 -2.368843677350e-01 2.094801542040e-01 2.803344577980e-01 -1.254700960800e-01 3.336883437400e-01 -3.521491299080e-01 2.139198739290e-01
|
||||
3*0.0 1.721088952840e-01 -1.472108610970e-01 -2.417354656810e-01 1.043282190510e-01 -3.393519864830e-01 3.949262732610e-01 -2.664406640060e-01 3*0.0 -2.373304499690e-01 2.054789988970e-01 2.791251480460e-01 -1.228558574920e-01 3.297529848550e-01 -3.472279549410e-01 2.101582592650e-01
|
||||
3*0.0 1.712481671700e-01 -1.443610442360e-01 -2.398549897020e-01 1.021158684120e-01 -3.349809121170e-01 3.890386233000e-01 -2.615720657170e-01 3*0.0 -2.376611663840e-01 2.015248305080e-01 2.778323707430e-01 -1.202831559130e-01 3.257983135980e-01 -3.423216831640e-01 2.064337057550e-01
|
||||
3*0.0 1.703560187280e-01 -1.415572009560e-01 -2.379366172340e-01 9.994380003420e-02 -3.306171562520e-01 3.831890762430e-01 -2.567617088030e-01 3*0.0 -2.378791307960e-01 1.976180095320e-01 2.764591394120e-01 -1.177517196650e-01 3.218265887110e-01 -3.374319974600e-01 2.027467230210e-01
|
||||
3*0.0 1.694336415440e-01 -1.387987963760e-01 -2.359826035150e-01 9.781148172840e-02 -3.262622634110e-01 3.773790327290e-01 -2.520099259370e-01 3*0.0 -2.379869736750e-01 1.937588585890e-01 2.750084322220e-01 -1.152612649900e-01 3.178400256560e-01 -3.325605264110e-01 1.990977864810e-01
|
||||
3*0.0 1.684821921730e-01 -1.360852956850e-01 -2.339951410790e-01 9.571838078180e-02 -3.219177328680e-01 3.716098230610e-01 -2.473170008030e-01 3*0.0 -2.379873390610e-01 1.899476634520e-01 2.734831905480e-01 -1.128114966500e-01 3.138407959470e-01 -3.277088446560e-01 1.954873380180e-01
|
||||
3*0.0 1.675028015810e-01 -1.334161650030e-01 -2.319763587940e-01 9.366396427280e-02 -3.175850173800e-01 3.658827098410e-01 -2.426831702500e-01 3*0.0 -2.378828816060e-01 1.861846740690e-01 2.718863176490e-01 -1.104021085240e-01 3.098310265880e-01 -3.228784732860e-01 1.919157866540e-01
|
||||
3*0.0 1.664966352210e-01 -1.307908732520e-01 -2.299283144490e-01 9.164769932740e-02 -3.132655143880e-01 3.601988888900e-01 -2.381086257730e-01 3*0.0 -2.376762636800e-01 1.824701055720e-01 2.702206774370e-01 -1.080327841870e-01 3.058127994450e-01 -3.180708802780e-01 1.883835092460e-01
|
||||
3*0.0 1.654648576850e-01 -1.282088919620e-01 -2.278530153870e-01 8.966905393860e-02 -3.089605871600e-01 3.545594913950e-01 -2.335935156300e-01 3*0.0 -2.373701525890e-01 1.788041392870e-01 2.684890933200e-01 -1.057031974690e-01 3.017881508660e-01 -3.132874809790e-01 1.848908511800e-01
|
||||
3*0.0 1.644083517750e-01 -1.256696836560e-01 -2.257524050200e-01 8.772749693180e-02 -3.046715508370e-01 3.489655854440e-01 -2.291379463140e-01 3*0.0 -2.369672178820e-01 1.751869237370e-01 2.666943471610e-01 -1.034130130120e-01 2.977590711830e-01 -3.085296386080e-01 1.814381270740e-01
|
||||
3*0.0 1.633282904300e-01 -1.231727247750e-01 -2.236283679500e-01 8.582249838720e-02 -3.003996757370e-01 3.434181779390e-01 -2.247419845450e-01 3*0.0 -2.364701287600e-01 1.716185756250e-01 2.648391782940e-01 -1.011618868050e-01 2.937275043910e-01 -3.037986648080e-01 1.780256214910e-01
|
||||
3*0.0 1.622257098380e-01 -1.207174889630e-01 -2.214827317090e-01 8.395353007060e-02 -2.961461884780e-01 3.379182161270e-01 -2.204056586790e-01 3*0.0 -2.358815515590e-01 1.680991808170e-01 2.629262826460e-01 -9.894946670370e-02 2.896953478430e-01 -2.990958202250e-01 1.746535896530e-01
|
||||
3*0.0 1.611016242800e-01 -1.183034514220e-01 -2.193172671020e-01 8.212006555230e-02 -2.919122731990e-01 3.324665892250e-01 -2.161289604140e-01 3*0.0 -2.352041473580e-01 1.646287953180e-01 2.609583119240e-01 -9.677539294320e-02 2.856644520010e-01 -2.944223151160e-01 1.713222581560e-01
|
||||
3*0.0 1.599570280520e-01 -1.159300903940e-01 -2.171336902710e-01 8.032158064430e-02 -2.876990703060e-01 3.270641299560e-01 -2.119118462320e-01 3*0.0 -2.344405696240e-01 1.612074462190e-01 2.589378728830e-01 -9.463929862960e-02 2.816366202220e-01 -2.897793099810e-01 1.680318256930e-01
|
||||
3*0.0 1.587928962460e-01 -1.135968857180e-01 -2.149336627040e-01 7.855755352170e-02 -2.835076806070e-01 3.217116169420e-01 -2.077542396080e-01 3*0.0 -2.335934621210e-01 1.578351327070e-01 2.568675266820e-01 -9.254081022600e-02 2.776136087550e-01 -2.851679162400e-01 1.647824637730e-01
|
||||
3*0.0 1.576101795390e-01 -1.113033199450e-01 -2.127187934700e-01 7.682746494930e-02 -2.793391653520e-01 3.164097742700e-01 -2.036560303750e-01 3*0.0 -2.326654564170e-01 1.545118268450e-01 2.547497882880e-01 -9.047954801560e-02 2.735971264150e-01 -2.805891968960e-01 1.615743174440e-01
|
||||
3*0.0 1.564098120030e-01 -1.090488783850e-01 -2.104906402470e-01 7.513079898680e-02 -2.751945334010e-01 3.111592759870e-01 -1.996170801040e-01 3*0.0 -2.316591704220e-01 1.512374747420e-01 2.525871259860e-01 -8.845512656260e-02 2.695888347590e-01 -2.760441672730e-01 1.584075060160e-01
|
||||
3*0.0 1.551927039330e-01 -1.068330482710e-01 -2.082507094760e-01 7.346704227420e-02 -2.710747733970e-01 3.059607440600e-01 -1.956372180250e-01 3*0.0 -2.305772058050e-01 1.480119972270e-01 2.503819608950e-01 -8.646715514500e-02 2.655903479650e-01 -2.715337957230e-01 1.552821237710e-01
|
||||
3*0.0 1.539597474240e-01 -1.046553208120e-01 -2.060004582140e-01 7.183568517420e-02 -2.669808160170e-01 3.008147533530e-01 -1.917162481440e-01 3*0.0 -2.294221465350e-01 1.448352908910e-01 2.481366666480e-01 -8.451523819590e-02 2.616032330390e-01 -2.670590043850e-01 1.521982406870e-01
|
||||
3*0.0 1.527118126160e-01 -1.025151890830e-01 -2.037412952950e-01 7.023622131110e-02 -2.629135640410e-01 2.957218301850e-01 -1.878539458520e-01 3*0.0 -2.281965570920e-01 1.417072289950e-01 2.458535690190e-01 -8.259897570610e-02 2.576290097040e-01 -2.626206699570e-01 1.491559031590e-01
|
||||
3*0.0 1.514497535060e-01 -1.004121501650e-01 -2.014745811520e-01 6.866814807440e-02 -2.588738816550e-01 2.906824560310e-01 -1.840500621130e-01 3*0.0 -2.269029804170e-01 1.386276621970e-01 2.435349457090e-01 -8.071796363760e-02 2.536691507670e-01 -2.582196244610e-01 1.461551346840e-01
|
||||
3*0.0 1.501743977920e-01 -9.834570307530e-02 -1.992016314830e-01 6.713096685650e-02 -2.548625858720e-01 2.856970672760e-01 -1.803043233130e-01 3*0.0 -2.255439367720e-01 1.355964195940e-01 2.411830261280e-01 -7.887179430870e-02 2.497250821560e-01 -2.538566560610e-01 1.431959365980e-01
|
||||
3*0.0 1.488865603460e-01 -9.631535193640e-02 -1.969237146570e-01 6.562418274000e-02 -2.508804685030e-01 2.807660572550e-01 -1.766164330240e-01 3*0.0 -2.241219218770e-01 1.326133094600e-01 2.387999912550e-01 -7.706005677300e-02 2.457981832250e-01 -2.495325098520e-01 1.402782887500e-01
|
||||
3*0.0 1.475870318120e-01 -9.432060254840e-02 -1.946420563310e-01 6.414730516100e-02 -2.469282817670e-01 2.758897774010e-01 -1.729860722340e-01 3*0.0 -2.226394054720e-01 1.296781200520e-01 2.363879735620e-01 -7.528233718560e-02 2.418897869390e-01 -2.452478886880e-01 1.374021502040e-01
|
||||
3*0.0 1.462765858070e-01 -9.236096490860e-02 -1.923578378380e-01 6.269984778830e-02 -2.430067382490e-01 2.710685390680e-01 -1.694129021220e-01 3*0.0 -2.210988302430e-01 1.267906205590e-01 2.339490569660e-01 -7.353821916030e-02 2.380011802940e-01 -2.410034540200e-01 1.345674599420e-01
|
||||
3*0.0 1.449559761070e-01 -9.043595265480e-02 -1.900721978950e-01 6.128132856540e-02 -2.391165184740e-01 2.663026143610e-01 -1.658965638800e-01 3*0.0 -2.195026101450e-01 1.239505617870e-01 2.314852768510e-01 -7.182728410740e-02 2.341336045340e-01 -2.367998267120e-01 1.317741375150e-01
|
||||
3*0.0 1.436259401740e-01 -8.854508303860e-02 -1.877862346910e-01 5.989127008110e-02 -2.352582695920e-01 2.615922374540e-01 -1.624366798520e-01 3*0.0 -2.178531294790e-01 1.211576770100e-01 2.289986201150e-01 -7.014911156610e-02 2.302882555150e-01 -2.326375879070e-01 1.290220837440e-01
|
||||
3*0.0 1.422871936080e-01 -8.668787692620e-02 -1.855010052490e-01 5.852919944540e-02 -2.314326029510e-01 2.569376056930e-01 -1.590328549100e-01 3*0.0 -2.161527415820e-01 1.184116827230e-01 2.264910252840e-01 -6.850327952370e-02 2.264662842420e-01 -2.285172798640e-01 1.263111813690e-01
|
||||
3*0.0 1.409404355940e-01 -8.486385872320e-02 -1.832175270770e-01 5.719464846360e-02 -2.276400987770e-01 2.523388815000e-01 -1.556846773850e-01 3*0.0 -2.144037678400e-01 1.157122793980e-01 2.239643826640e-01 -6.688936472520e-02 2.226687971620e-01 -2.244394068220e-01 1.236412957140e-01
|
||||
3*0.0 1.395863465150e-01 -8.307255730440e-02 -1.809367795340e-01 5.588715374000e-02 -2.238813027730e-01 2.477961924330e-01 -1.523917196800e-01 3*0.0 -2.126084966910e-01 1.130591522640e-01 2.214205345170e-01 -6.530694296780e-02 2.188968566590e-01 -2.204044358490e-01 1.210122753320e-01
|
||||
3*0.0 1.382255885730e-01 -8.131350457860e-02 -1.786597038980e-01 5.460625672280e-02 -2.201567304110e-01 2.433096334410e-01 -1.491535396370e-01 3*0.0 -2.107691826330e-01 1.104519719720e-01 2.188612752940e-01 -6.375558938820e-02 2.151514815280e-01 -2.164127977140e-01 1.184239526490e-01
|
||||
3*0.0 1.368588088080e-01 -7.958623755700e-02 -1.763872048630e-01 5.335150379640e-02 -2.164668669150e-01 2.388792677090e-01 -1.459696812440e-01 3*0.0 -2.088880454610e-01 1.078903953800e-01 2.162883518970e-01 -6.223487873880e-02 2.114336475230e-01 -2.124648877380e-01 1.158761445890e-01
|
||||
3*0.0 1.354866350880e-01 -7.789029647160e-02 -1.741201510870e-01 5.212244632150e-02 -2.128121649760e-01 2.345051274170e-01 -1.428396755600e-01 3*0.0 -2.069672693850e-01 1.053740661920e-01 2.137034639830e-01 -6.074438565260e-02 2.077442878380e-01 -2.085610666630e-01 1.133686531980e-01
|
||||
3*0.0 1.341096784950e-01 -7.622522603840e-02 -1.718593762090e-01 5.091864066370e-02 -2.091930489280e-01 2.301872151470e-01 -1.397630412770e-01 3*0.0 -2.050090024160e-01 1.029026157050e-01 2.111082642800e-01 -5.928368489570e-02 2.040842936790e-01 -2.047016615140e-01 1.109012662570e-01
|
||||
3*0.0 1.327285337340e-01 -7.459057453450e-02 -1.696056801710e-01 4.973964839890e-02 -2.056099130460e-01 2.259255051220e-01 -1.367392860060e-01 3*0.0 -2.030153555980e-01 1.004756634160e-01 2.085043589710e-01 -5.785235161730e-02 2.004545147830e-01 -2.008869664520e-01 1.084737578790e-01
|
||||
3*0.0 1.313437790010e-01 -7.298589519670e-02 -1.673598294180e-01 4.858503613220e-02 -2.020631243190e-01 2.217199436720e-01 -1.337679063000e-01 3*0.0 -2.009884024060e-01 9.809281769380e-02 2.058933080730e-01 -5.644996158170e-02 1.968557601830e-01 -1.971172436410e-01 1.060858890980e-01
|
||||
3*0.0 1.299559778410e-01 -7.141074514340e-02 -1.651225576500e-01 4.745437568140e-02 -1.985530221850e-01 2.175704513560e-01 -1.308483896780e-01 3*0.0 -1.989301783370e-01 9.575367644540e-02 2.032766258570e-01 -5.507609139240e-02 1.932887986210e-01 -1.933927241010e-01 1.037374084610e-01
|
||||
3*0.0 1.285656751900e-01 -6.986468539500e-02 -1.628945675940e-01 4.634724407580e-02 -1.950799158580e-01 2.134769226640e-01 -1.279802140200e-01 3*0.0 -1.968426802710e-01 9.345782771150e-02 2.006557812980e-01 -5.373031871290e-02 1.897543592190e-01 -1.897136085460e-01 1.014280525790e-01
|
||||
3*0.0 1.271734034490e-01 -6.834728204220e-02 -1.606765308840e-01 4.526322357120e-02 -1.916440924710e-01 2.094392280480e-01 -1.251628489710e-01 3*0.0 -1.947278661140e-01 9.120485025150e-02 1.980321985460e-01 -5.241222247010e-02 1.862531322470e-01 -1.860800682490e-01 9.915754670230e-02
|
||||
3*0.0 1.257796771470e-01 -6.685810446440e-02 -1.584690892710e-01 4.420190169040e-02 -1.882458096970e-01 2.054572142640e-01 -1.223957564250e-01 3*0.0 -1.925876544000e-01 8.899431418950e-02 1.954072574180e-01 -5.112138305360e-02 1.827857696130e-01 -1.824922458630e-01 9.692560525490e-02
|
||||
3*0.0 1.243849985940e-01 -6.539672741520e-02 -1.562728553970e-01 4.316287119850e-02 -1.848853026200e-01 2.015307059140e-01 -1.196783914950e-01 3*0.0 -1.904239240540e-01 8.682578155420e-02 1.927822939160e-01 -4.985738250700e-02 1.793528856240e-01 -1.789502562720e-01 9.473193238530e-02
|
||||
3*0.0 1.229898527310e-01 -6.396272909880e-02 -1.540884136020e-01 4.214573018270e-02 -1.815627801490e-01 1.976595056230e-01 -1.170102026090e-01 3*0.0 -1.882385139710e-01 8.469880684190e-02 1.901586007590e-01 -4.861980470580e-02 1.759550576590e-01 -1.754541874000e-01 9.257622247530e-02
|
||||
3*0.0 1.215947124780e-01 -6.255569272400e-02 -1.519163205340e-01 4.115008198430e-02 -1.782784272830e-01 1.938433957760e-01 -1.143906326990e-01 3*0.0 -1.860332228690e-01 8.261293754860e-02 1.875374279330e-01 -4.740823553180e-02 1.725928268740e-01 -1.720041010490e-01 9.045816066600e-02
|
||||
3*0.0 1.202000351450e-01 -6.117520537910e-02 -1.497571060690e-01 4.017553528880e-02 -1.750324072280e-01 1.900821387500e-01 -1.118191192760e-01 3*0.0 -1.838098092030e-01 8.056771475880e-02 1.849199832730e-01 -4.622226303810e-02 1.692666987830e-01 -1.686000336970e-01 8.837742335980e-02
|
||||
3*0.0 1.188062654580e-01 -5.982085905910e-02 -1.476112741430e-01 3.922170400950e-02 -1.718248591950e-01 1.863754781070e-01 -1.092950953010e-01 3*0.0 -1.815699908990e-01 7.856267359880e-02 1.823074330430e-01 -4.506147760540e-02 1.659771442010e-01 -1.652419973090e-01 8.633367870740e-02
|
||||
3*0.0 1.174138337660e-01 -5.849224977810e-02 -1.454793032440e-01 3.828820745290e-02 -1.686559003640e-01 1.827231393200e-01 -1.068179897420e-01 3*0.0 -1.793154453220e-01 7.659734377220e-02 1.797009025330e-01 -4.392547208770e-02 1.627245997080e-01 -1.619299801280e-01 8.432658708800e-02
|
||||
3*0.0 1.160231582280e-01 -5.718897820580e-02 -1.433616471860e-01 3.737467009210e-02 -1.655256276980e-01 1.791248308200e-01 -1.043872279480e-01 3*0.0 -1.770478092410e-01 7.467125002580e-02 1.771014766830e-01 -4.281384196020e-02 1.595094685240e-01 -1.586639474590e-01 8.235580158340e-02
|
||||
3*0.0 1.146346430180e-01 -5.591064907480e-02 -1.412587359520e-01 3.648072174740e-02 -1.624341159300e-01 1.755802445170e-01 -1.020022322780e-01 3*0.0 -1.747686788500e-01 7.278391265820e-02 1.745102007020e-01 -4.172618544780e-02 1.563321212190e-01 -1.554438424500e-01 8.042096843210e-02
|
||||
3*0.0 1.132486800370e-01 -5.465687180410e-02 -1.391709765200e-01 3.560599750940e-02 -1.593814211080e-01 1.720890565320e-01 -9.966242235370e-02 3*0.0 -1.724796097350e-01 7.093484792700e-02 1.719280807110e-01 -4.066210365460e-02 1.531928963650e-01 -1.522695868480e-01 7.852172747470e-02
|
||||
3*0.0 1.118656496710e-01 -5.342726022690e-02 -1.370987527950e-01 3.475013763630e-02 -1.563675782960e-01 1.686509285700e-01 -9.736721608300e-02 3*0.0 -1.701821169920e-01 6.912356853150e-02 1.693560843830e-01 -3.962120068270e-02 1.500921014000e-01 -1.491410817650e-01 7.665771258950e-02
|
||||
3*0.0 1.104859194650e-01 -5.222143245530e-02 -1.350424274180e-01 3.391278768560e-02 -1.533926047670e-01 1.652655078710e-01 -9.511602941900e-02 3*0.0 -1.678776753710e-01 6.734958404460e-02 1.667951416090e-01 -3.860308374770e-02 1.470300132420e-01 -1.460582084130e-01 7.482855211900e-02
|
||||
3*0.0 1.091098453160e-01 -5.103901107250e-02 -1.330023415110e-01 3.309359839610e-02 -1.504564983630e-01 1.619324284500e-01 -9.290827727920e-02 3*0.0 -1.655677193630e-01 6.561240130940e-02 1.642461451500e-01 -3.760736328250e-02 1.440068790940e-01 -1.430208288380e-01 7.303386927820e-02
|
||||
3*0.0 1.077377717450e-01 -4.987962296260e-02 -1.309788156940e-01 3.229222566670e-02 -1.475592401530e-01 1.586513116520e-01 -9.074337372070e-02 3*0.0 -1.632536434030e-01 6.391152485640e-02 1.617099513170e-01 -3.663365304020e-02 1.410229171860e-01 -1.400287866450e-01 7.127328255880e-02
|
||||
3*0.0 1.063700319160e-01 -4.874289941920e-02 -1.289721506660e-01 3.150833053680e-02 -1.447007932800e-01 1.554217668560e-01 -8.862073246600e-02 3*0.0 -1.609368020400e-01 6.224645726740e-02 1.591873806410e-01 -3.568157018730e-02 1.380783174600e-01 -1.370819077050e-01 6.954640611720e-02
|
||||
3*0.0 1.050069481080e-01 -4.762847614950e-02 -1.269826277430e-01 3.074157919030e-02 -1.418811049060e-01 1.522433921010e-01 -8.653976717640e-02 3*0.0 -1.586185102740e-01 6.061669961340e-02 1.566792185590e-01 -3.475073539330e-02 1.351732424280e-01 -1.341800008540e-01 6.785285015710e-02
|
||||
3*0.0 1.036488318620e-01 -4.653599317760e-02 -1.250105096600e-01 2.999164288420e-02 -1.391001049660e-01 1.491157748140e-01 -8.449989193090e-02 3*0.0 -1.563000437200e-01 5.902175175220e-02 1.541862160870e-01 -3.384077290980e-02 1.323078277130e-01 -1.313228585760e-01 6.619222129590e-02
|
||||
3*0.0 1.022959841610e-01 -4.546509479910e-02 -1.230560410060e-01 2.925819794240e-02 -1.363577097260e-01 1.460384923490e-01 -8.250052139850e-02 3*0.0 -1.539826389700e-01 5.746111272520e-02 1.517090905240e-01 -3.295131065210e-02 1.294821830210e-01 -1.285102576830e-01 6.456412292240e-02
|
||||
3*0.0 1.009486958820e-01 -4.441542973450e-02 -1.211194487190e-01 2.854092569350e-02 -1.336538181090e-01 1.430111127730e-01 -8.054107148620e-02 3*0.0 -1.516674938310e-01 5.593428105960e-02 1.492485261250e-01 -3.208198026690e-02 1.266963926560e-01 -1.257419599650e-01 6.296815554260e-02
|
||||
3*0.0 9.960724802760e-02 -4.338665094670e-02 -1.192009428880e-01 2.783951246370e-02 -1.309883168490e-01 1.400331952740e-01 -7.862095928470e-02 3*0.0 -1.493557677640e-01 5.444075513080e-02 1.468051748050e-01 -3.123241720110e-02 1.239505164340e-01 -1.230177128520e-01 6.140391711940e-02
|
||||
3*0.0 9.827191125100e-02 -4.237841557540e-02 -1.173007170680e-01 2.715364949370e-02 -1.283610768090e-01 1.371042907880e-01 -7.673960361820e-02 3*0.0 -1.470485821980e-01 5.298003345130e-02 1.443796568220e-01 -3.040226076010e-02 1.212445902490e-01 -1.203372500410e-01 5.987100339740e-02
|
||||
3*0.0 9.694294753130e-02 -4.139038518260e-02 -1.154189490870e-01 2.648303296680e-02 -1.257719576390e-01 1.342239426300e-01 -7.489642514570e-02 3*0.0 -1.447470209340e-01 5.155161499180e-02 1.419725614750e-01 -2.959115416720e-02 1.185786269150e-01 -1.177002921220e-01 5.836900821730e-02
|
||||
3*0.0 9.562060917000e-02 -4.042222544850e-02 -1.135558012330e-01 2.582736389320e-02 -1.232208034190e-01 1.313916871080e-01 -7.309084704090e-02 3*0.0 -1.424521305460e-01 5.015499946280e-02 1.395844477860e-01 -2.879874461130e-02 1.159526168060e-01 -1.151065471870e-01 5.689752382310e-02
|
||||
3*0.0 9.430513904270e-02 -3.947360629190e-02 -1.117114211430e-01 2.518634812750e-02 -1.207074479710e-01 1.286070537040e-01 -7.132229459470e-02 3*0.0 -1.401649207890e-01 4.878968757990e-02 1.372158452000e-01 -2.802468329720e-02 1.133665286150e-01 -1.125557114340e-01 5.545614115590e-02
|
||||
3*0.0 9.299677149660e-02 -3.854420176710e-02 -1.098859420010e-01 2.455969629110e-02 -1.182317125240e-01 1.258695659770e-01 -6.959019602380e-02 3*0.0 -1.378863651010e-01 4.745518137440e-02 1.348672542630e-01 -2.726862548450e-02 1.108203100260e-01 -1.100474697420e-01 5.404445014150e-02
|
||||
3*0.0 9.169573247390e-02 -3.763369022030e-02 -1.080794831580e-01 2.394712371920e-02 -1.157934063900e-01 1.231787419190e-01 -6.789398255880e-02 3*0.0 -1.356174010040e-01 4.615098440030e-02 1.325391473160e-01 -2.653023052900e-02 1.083138884070e-01 -1.075814962490e-01 5.266203996540e-02
|
||||
3*0.0 9.040223868160e-02 -3.674175383870e-02 -1.062921506520e-01 2.334835046860e-02 -1.133923286900e-01 1.205340943570e-01 -6.623308849110e-02 3*0.0 -1.333589306260e-01 4.487660201580e-02 1.302319691640e-01 -2.580916191310e-02 1.058471715350e-01 -1.051574549150e-01 5.130849933990e-02
|
||||
3*0.0 8.911649986300e-02 -3.586807925150e-02 -1.045240376160e-01 2.276310119970e-02 -1.110282676260e-01 1.179351315150e-01 -6.460695162930e-02 3*0.0 -1.311118211500e-01 4.363154160050e-02 1.279461377690e-01 -2.510508727780e-02 1.034200482620e-01 -1.027750000580e-01 4.998341675840e-02
|
||||
3*0.0 8.783871646760e-02 -3.501235702500e-02 -1.027752246810e-01 2.219110517620e-02 -1.087010011500e-01 1.153813574360e-01 -6.301501331840e-02 3*0.0 -1.288769053810e-01 4.241531280270e-02 1.256820449110e-01 -2.441767844800e-02 1.010323891510e-01 -1.004337768950e-01 4.868638074620e-02
|
||||
3*0.0 8.656908131990e-02 -3.417428154580e-02 -1.010457805880e-01 2.163209620250e-02 -1.064102984780e-01 1.128722723300e-01 -6.145671869150e-02 3*0.0 -1.266549821920e-01 4.122742772350e-02 1.234400568620e-01 -2.374661145380e-02 9.868404721150e-02 -9.813342206060e-02 4.741698009720e-02
|
||||
3*0.0 8.530778019560e-02 -3.335355146910e-02 -9.933576245740e-02 2.108581258900e-02 -1.041559186330e-01 1.104073732020e-01 -5.993151695570e-02 3*0.0 -1.244468171160e-01 4.006740115170e-02 1.212205150540e-01 -2.309156655120e-02 9.637485850630e-02 -9.587356411550e-02 4.617480410420e-02
|
||||
3*0.0 8.405499105060e-02 -3.254986949300e-02 -9.764521628950e-02 2.055199706400e-02 -1.019376124860e-01 1.079861540440e-01 -5.843886137120e-02 3*0.0 -1.222531428510e-01 3.893475075010e-02 1.190237367310e-01 -2.245222823480e-02 9.410464282750e-02 -9.365382403940e-02 4.495944277770e-02
|
||||
3*0.0 8.281088395310e-02 -3.176294195210e-02 -9.597417733850e-02 2.003039676400e-02 -9.975512257860e-02 1.056081062410e-01 -5.697820947770e-02 3*0.0 -1.200746597960e-01 3.782899722640e-02 1.168500156020e-01 -2.182828525100e-02 9.187320429420e-02 -9.147381571390e-02 4.377048706010e-02
|
||||
3*0.0 8.157562265720e-02 -3.099247940460e-02 -9.432267057650e-02 1.952076317150e-02 -9.760818297420e-02 1.032727191320e-01 -5.554902335550e-02 3*0.0 -1.179120366770e-01 3.674966454530e-02 1.146996224930e-01 -2.121943060670e-02 8.968033205820e-02 -8.933314639620e-02 4.260752902900e-02
|
||||
3*0.0 8.034936346870e-02 -3.023819612830e-02 -9.269071099140e-02 1.902285205300e-02 -9.549652123020e-02 1.009794801900e-01 -5.415076959240e-02 3*0.0 -1.157659110210e-01 3.569628005890e-02 1.125728059800e-01 -2.062536157430e-02 8.752580087720e-02 -8.723141717160e-02 4.147016209080e-02
|
||||
3*0.0 7.913225562470e-02 -2.949981004140e-02 -9.107830405250e-02 1.853642341030e-02 -9.341985660980e-02 9.872787540690e-02 -5.278291955460e-02 3*0.0 -1.136368898020e-01 3.466837470190e-02 1.104697930260e-01 -2.004577969470e-02 8.540937166330e-02 -8.516822339910e-02 4.035798116970e-02
|
||||
3*0.0 7.792444224610e-02 -2.877704342010e-02 -8.948544604090e-02 1.806124144730e-02 -9.137790254780e-02 9.651738968740e-02 -5.144494940330e-02 3*0.0 -1.115255499620e-01 3.366548310570e-02 1.083907896060e-01 -1.948039077690e-02 8.333079222280e-02 -8.314315514780e-02 3.927058288560e-02
|
||||
3*0.0 7.672605989910e-02 -2.806962198360e-02 -8.791212438900e-02 1.759707449380e-02 -8.937036545830e-02 9.434750714820e-02 -5.013634029490e-02 3*0.0 -1.094324390500e-01 3.268714377860e-02 1.063359813210e-01 -1.892890489530e-02 8.128979775850e-02 -8.115579761470e-02 3.820756572550e-02
|
||||
3*0.0 7.553723821030e-02 -2.737727515990e-02 -8.635831809460e-02 1.714369496600e-02 -8.739694624410e-02 9.221771135540e-02 -4.885657836880e-02 3*0.0 -1.073580757530e-01 3.173289921030e-02 1.043055340130e-01 -1.839103638400e-02 7.928611144640e-02 -7.920573153240e-02 3.716853020740e-02
|
||||
3*0.0 7.435810112580e-02 -2.669973625490e-02 -8.482399798140e-02 1.670087931540e-02 -8.545733965370e-02 9.012748571700e-02 -4.760515499020e-02 3*0.0 -1.053029505420e-01 3.080229602440e-02 1.022995943660e-01 -1.786650382970e-02 7.731944504650e-02 -7.729253356900e-02 3.615307903740e-02
|
||||
3*0.0 7.318876576790e-02 -2.603674198110e-02 -8.330912708200e-02 1.626840797600e-02 -8.355123558810e-02 8.807631374190e-02 -4.638156671340e-02 3*0.0 -1.032675262150e-01 2.989488507340e-02 1.003182904970e-01 -1.735503005960e-02 7.538949942370e-02 -7.541577670990e-02 3.516081725740e-02
|
||||
3*0.0 7.202934440920e-02 -2.538803318420e-02 -8.181366096130e-02 1.584606529830e-02 -8.167831840850e-02 8.606367927160e-02 -4.518531543250e-02 3*0.0 -1.012522385170e-01 2.901022156850e-02 9.836173254340e-02 -1.685634213100e-02 7.349596511940e-02 -7.357503063230e-02 3.419135238620e-02
|
||||
3*0.0 7.087994235940e-02 -2.475335383220e-02 -8.033754793540e-02 1.543363951210e-02 -7.983826819490e-02 8.408906686170e-02 -4.401590848850e-02 3*0.0 -9.925749674600e-02 2.814786517590e-02 9.643001324110e-02 -1.637017131520e-02 7.163852287530e-02 -7.176986206770e-02 3.324429455730e-02
|
||||
3*0.0 6.974065970960e-02 -2.413245164180e-02 -7.888072957330e-02 1.503092267610e-02 -7.803076041930e-02 8.215196183920e-02 -4.287285857830e-02 3*0.0 -9.728368433360e-02 2.730738011800e-02 9.452320849090e-02 -1.589625308110e-02 6.981684417730e-02 -6.999983515230e-02 3.231925664390e-02
|
||||
3*0.0 6.861159140890e-02 -2.352507810690e-02 -7.744314076800e-02 1.463771061540e-02 -7.625546672420e-02 8.025185073810e-02 -4.175568402670e-02 3*0.0 -9.533115946140e-02 2.648833526390e-02 9.264137791700e-02 -1.543432707670e-02 6.803059175230e-02 -6.826451176580e-02 3.141585438310e-02
|
||||
3*0.0 6.749282592920e-02 -2.293098788670e-02 -7.602471016140e-02 1.425380287310e-02 -7.451205468830e-02 7.838822140760e-02 -4.066390867310e-02 3*0.0 -9.340025562160e-02 2.569030420720e-02 9.078456541880e-02 -1.498413710830e-02 6.627942006480e-02 -6.656345185830e-02 3.053370648680e-02
|
||||
3*0.0 6.638444733200e-02 -2.234993936630e-02 -7.462536038810e-02 1.387900265740e-02 -7.280018886560e-02 7.656056328160e-02 -3.959706199560e-02 3*0.0 -9.149128226070e-02 2.491286535260e-02 8.895279970940e-02 -1.454543111820e-02 6.456297585440e-02 -6.489621377220e-02 2.967243475540e-02
|
||||
3*0.0 6.528653381160e-02 -2.178169400250e-02 -7.324500836660e-02 1.351311679520e-02 -7.111953024440e-02 7.476836759950e-02 -3.855467917230e-02 3*0.0 -8.960452535800e-02 2.415560197900e-02 8.714609484940e-02 -1.411796116090e-02 6.288089855800e-02 -6.326235454540e-02 2.883166417760e-02
|
||||
3*0.0 6.419915867330e-02 -2.122601755890e-02 -7.188356537990e-02 1.315595566140e-02 -6.946973690600e-02 7.301112749370e-02 -3.753630094150e-02 3*0.0 -8.774024798170e-02 2.341810232210e-02 8.536445076970e-02 -1.370148337700e-02 6.123282083770e-02 -6.166143020820e-02 2.801102302560e-02
|
||||
3*0.0 6.312239103770e-02 -2.068267800240e-02 -7.054093763360e-02 1.280733317600e-02 -6.785046403700e-02 7.128833848510e-02 -3.654147415490e-02 3*0.0 -8.589869093390e-02 2.269995959230e-02 8.360785377440e-02 -1.329575796610e-02 5.961836897120e-02 -6.009299607300e-02 2.721014295170e-02
|
||||
3*0.0 6.205629286080e-02 -2.015144733840e-02 -6.921702635980e-02 1.246706665670e-02 -6.626136576880e-02 6.959949821670e-02 -3.556975093940e-02 3*0.0 -8.408007337310e-02 2.200077211220e-02 8.187627706440e-02 -1.290054916000e-02 5.803716338070e-02 -5.855660700440e-02 2.642865906550e-02
|
||||
3*0.0 6.100092300570e-02 -1.963210050660e-02 -6.791172810840e-02 1.213497693870e-02 -6.470209210160e-02 6.794410700280e-02 -3.462068948970e-02 3*0.0 -8.228459320570e-02 2.132014321840e-02 8.016968121330e-02 -1.251562519110e-02 5.648881899390e-02 -5.705181768870e-02 2.566621002000e-02
|
||||
3*0.0 5.995633731210e-02 -1.912441678370e-02 -6.662493451900e-02 1.181088806290e-02 -6.317229219760e-02 6.632166790240e-02 -3.369385388360e-02 3*0.0 -8.051242794660e-02 2.065768150080e-02 7.848801465230e-02 -1.214075826070e-02 5.497294572990e-02 -5.557818289350e-02 2.492243808410e-02
|
||||
3*0.0 5.892258185340e-02 -1.862817678010e-02 -6.535653340000e-02 1.149462751700e-02 -6.167161382250e-02 6.473168661630e-02 -3.278881366450e-02 3*0.0 -7.876373506270e-02 2.001300066450e-02 7.683121415060e-02 -1.177572450650e-02 5.348914892680e-02 -5.413525770790e-02 2.419698921020e-02
|
||||
3*0.0 5.789970345950e-02 -1.814316588540e-02 -6.410640836440e-02 1.118602598460e-02 -6.019970315690e-02 6.317367217020e-02 -3.190514461890e-02 3*0.0 -7.703865267860e-02 1.938571964620e-02 7.519920528160e-02 -1.142030397320e-02 5.203702960280e-02 -5.272259778430e-02 2.348951310160e-02
|
||||
3*0.0 5.688774194150e-02 -1.766917232240e-02 -6.287443893790e-02 1.088491735100e-02 -5.875620479630e-02 6.164713644000e-02 -3.104242800500e-02 3*0.0 -7.533730009360e-02 1.877546265350e-02 7.359190287720e-02 -1.107428057390e-02 5.061618501520e-02 -5.133975956370e-02 2.279966326770e-02
|
||||
3*0.0 5.588673304880e-02 -1.720598694020e-02 -6.166050117720e-02 1.059113866350e-02 -5.734076217120e-02 6.015159474800e-02 -3.020025114300e-02 3*0.0 -7.365977834860e-02 1.818185916130e-02 7.200921146500e-02 -1.073744205580e-02 4.922620901760e-02 -4.998630049870e-02 2.212709708270e-02
|
||||
3*0.0 5.489670840680e-02 -1.675340410340e-02 -6.046446785050e-02 1.030453012690e-02 -5.595301833190e-02 5.868656583880e-02 -2.937820706880e-02 3*0.0 -7.200617075420e-02 1.760454389940e-02 7.045102570950e-02 -1.040957996290e-02 4.786669233470e-02 -4.866177926180e-02 2.147147583410e-02
|
||||
3*0.0 5.391769655850e-02 -1.631122167080e-02 -5.928620794670e-02 1.002493492180e-02 -5.459261585390e-02 5.725157185910e-02 -2.857589464440e-02 3*0.0 -7.037654351380e-02 1.704315695020e-02 6.891723084570e-02 -1.009048960170e-02 4.653722300180e-02 -4.736575594560e-02 2.083246476760e-02
|
||||
3*0.0 5.294971908770e-02 -1.587923913130e-02 -5.812558796640e-02 9.752199341480e-03 -5.325919702160e-02 5.584613869830e-02 -2.779291851210e-02 3*0.0 -6.877094619540e-02 1.649734366050e-02 6.740770308410e-02 -9.779969999600e-03 4.523738669680e-02 -4.609779225490e-02 2.020973312850e-02
|
||||
3*0.0 5.199279766980e-02 -1.545726084930e-02 -5.698247102650e-02 9.486172570940e-03 -5.195240272030e-02 5.446979597460e-02 -2.702888919990e-02 3*0.0 -6.718941233740e-02 1.596675476320e-02 6.592231002150e-02 -9.477823869090e-03 4.396676705970e-02 -4.485745170110e-02 1.960295420220e-02
|
||||
3*0.0 5.104694688780e-02 -1.504509288660e-02 -5.585671773340e-02 9.226706714120e-03 -5.067187485140e-02 5.312207711930e-02 -2.628342291250e-02 3*0.0 -6.563195987740e-02 1.545104625310e-02 6.446091104170e-02 -9.183857565950e-03 4.272494607610e-02 -4.364429976490e-02 1.901180534140e-02
|
||||
3*0.0 5.011217809950e-02 -1.464254432580e-02 -5.474818606580e-02 8.973656795430e-03 -4.941725579470e-02 5.180251949460e-02 -2.555614159390e-02 3*0.0 -6.409859178730e-02 1.494987949850e-02 6.302335770170e-02 -8.897881051520e-03 4.151150432940e-02 -4.245790407840e-02 1.843596800140e-02
|
||||
3*0.0 4.918849962780e-02 -1.424942772450e-02 -5.365673162990e-02 8.726880622840e-03 -4.818818701270e-02 5.051066450150e-02 -2.484667295820e-02 3*0.0 -6.258929653790e-02 1.446292115290e-02 6.160949410810e-02 -8.619707850180e-03 4.032602132120e-02 -4.129783457670e-02 1.787512776340e-02
|
||||
3*0.0 4.827591613280e-02 -1.386555803100e-02 -5.258220776990e-02 8.486238813980e-03 -4.698431147660e-02 4.924605767490e-02 -2.415465046510e-02 3*0.0 -6.110404863360e-02 1.398984321580e-02 6.021915729700e-02 -8.349155010420e-03 3.916807579580e-02 -4.016366365460e-02 1.732897435380e-02
|
||||
3*0.0 4.737442845870e-02 -1.349075348960e-02 -5.152446566960e-02 8.251594692820e-03 -4.580527208270e-02 4.800824868740e-02 -2.347971319480e-02 3*0.0 -5.964280893090e-02 1.353032293630e-02 5.885217756860e-02 -8.086043059010e-03 3.803724607570e-02 -3.905496632100e-02 1.679720166770e-02
|
||||
3*0.0 4.648403330380e-02 -1.312483472210e-02 -5.048335474450e-02 8.022814288850e-03 -4.465071350080e-02 4.679679143630e-02 -2.282150581230e-02 3*0.0 -5.820552562900e-02 1.308404293600e-02 5.750837888130e-02 -7.830195966770e-03 3.693311015240e-02 -3.797132032010e-02 1.627950778120e-02
|
||||
3*0.0 4.560472514870e-02 -1.276762540920e-02 -4.945872236920e-02 7.799766270570e-03 -4.352027946210e-02 4.561124418890e-02 -2.217967874070e-02 3*0.0 -5.679213410580e-02 1.265069103750e-02 5.618757914430e-02 -7.581441096740e-03 3.585524620200e-02 -3.691230628430e-02 1.577559496320e-02
|
||||
3*0.0 4.473649379100e-02 -1.241895171860e-02 -4.845041433780e-02 7.582321894380e-03 -4.241361729310e-02 4.445116954780e-02 -2.155388781430e-02 3*0.0 -5.540255782860e-02 1.222996033390e-02 5.488959058890e-02 -7.339609169470e-03 3.480323268800e-02 -3.587750784610e-02 1.528516968540e-02
|
||||
3*0.0 4.387932709940e-02 -1.207864292910e-02 -4.745827492550e-02 7.370355001510e-03 -4.133037281120e-02 4.331613452720e-02 -2.094379455050e-02 3*0.0 -5.403670878860e-02 1.182154916250e-02 5.361422007740e-02 -7.104534215990e-03 3.377664860450e-02 -3.486651175830e-02 1.480794262790e-02
|
||||
3*0.0 4.303320835380e-02 -1.174653071070e-02 -4.648214707670e-02 7.163741931290e-03 -4.027019549430e-02 4.220571064320e-02 -2.034906584400e-02 3*0.0 -5.269448773660e-02 1.142516104720e-02 5.236126941550e-02 -6.876053535480e-03 3.277507381810e-02 -3.387890801290e-02 1.434362868070e-02
|
||||
3*0.0 4.219811880890e-02 -1.142244954580e-02 -4.552187225580e-02 6.962361483680e-03 -3.923273453970e-02 4.111947390360e-02 -1.976937412750e-02 3*0.0 -5.137578490470e-02 1.104050470090e-02 5.113053566480e-02 -6.654007651730e-03 3.179808921260e-02 -3.291428994160e-02 1.389194694700e-02
|
||||
3*0.0 4.137403640450e-02 -1.110623635210e-02 -4.457729082900e-02 6.766094908460e-03 -3.821764127140e-02 4.005700494220e-02 -1.920439728890e-02 3*0.0 -5.008048031750e-02 1.066729398650e-02 4.992181144430e-02 -6.438240271390e-03 3.084527692390e-02 -3.197225431580e-02 1.345262073770e-02
|
||||
3*0.0 4.056093563990e-02 -1.079773112050e-02 -4.364824228980e-02 6.574825839640e-03 -3.722456963920e-02 3.901788888220e-02 -1.865381844670e-02 3*0.0 -4.880844416620e-02 1.030524788030e-02 4.873488520900e-02 -6.228598237540e-03 2.991622062140e-02 -3.105240144630e-02 1.302537756760e-02
|
||||
3*0.0 3.975878813020e-02 -1.049677574790e-02 -4.273456482030e-02 6.388440233640e-03 -3.625317376680e-02 3.800171553630e-02 -1.811732614260e-02 3*0.0 -4.755953739650e-02 9.954090423640e-03 4.756954154320e-02 -6.024931488050e-03 2.901050558560e-02 -3.015433526250e-02 1.260994914860e-02
|
||||
3*0.0 3.896756323300e-02 -1.020321526760e-02 -4.183609615470e-02 6.206826392640e-03 -3.530311072560e-02 3.700807938920e-02 -1.759461424080e-02 3*0.0 -4.633361202660e-02 9.613550729880e-03 4.642556142610e-02 -5.827093010760e-03 2.812771905060e-02 -2.927766340260e-02 1.220607137860e-02
|
||||
3*0.0 3.818722684880e-02 -9.916896817530e-03 -4.095267300860e-02 6.029874854910e-03 -3.437403891440e-02 3.603657956580e-02 -1.708538174590e-02 3*0.0 -4.513051159820e-02 9.283362913060e-03 4.530272250030e-02 -5.634938800830e-03 2.726745022500e-02 -2.842199728830e-02 1.181348433150e-02
|
||||
3*0.0 3.741774268170e-02 -9.637670394280e-03 -4.008413157950e-02 5.857478398070e-03 -3.346561947530e-02 3.508681990930e-02 -1.658933289090e-02 3*0.0 -4.395007153920e-02 8.963266056630e-03 4.420079932520e-02 -5.448327814610e-03 2.642929068370e-02 -2.758695219690e-02 1.143193224030e-02
|
||||
3*0.0 3.665907097500e-02 -9.365387980950e-03 -3.923030752440e-02 5.689531979760e-03 -3.257751532520e-02 3.415840897310e-02 -1.610617702680e-02 3*0.0 -4.279211960750e-02 8.653004159250e-03 4.311956363320e-02 -5.267121929200e-03 2.561283430750e-02 -2.677214732610e-02 1.106116348360e-02
|
||||
3*0.0 3.591117041250e-02 -9.099904463790e-03 -3.839103608520e-02 5.525932726100e-03 -3.170939164670e-02 3.325096007710e-02 -1.563562864210e-02 3*0.0 -4.165647619790e-02 8.352326108670e-03 4.205878456320e-02 -5.091185895850e-03 2.481767765260e-02 -2.597720586070e-02 1.070093056550e-02
|
||||
3*0.0 3.517399655620e-02 -8.841076905660e-03 -3.756615203590e-02 5.366579852960e-03 -3.086091608790e-02 3.236409123980e-02 -1.517740716990e-02 3*0.0 -4.054295492370e-02 8.060985673770e-03 4.101822890380e-02 -4.920387298950e-03 2.404341990790e-02 -2.520175502310e-02 1.035099009730e-02
|
||||
3*0.0 3.444750258490e-02 -8.588764742130e-03 -3.675549000300e-02 5.211374665940e-03 -3.003175868300e-02 3.149742527010e-02 -1.473123710760e-02 3*0.0 -3.945136262090e-02 7.778741340810e-03 3.999766130280e-02 -4.754596508120e-03 2.328966328930e-02 -2.444542613440e-02 1.001110277480e-02
|
||||
3*0.0 3.373163926320e-02 -8.342829823470e-03 -3.595888429260e-02 5.060220488360e-03 -2.922159174490e-02 3.065058969800e-02 -1.429684781490e-02 3*0.0 -3.838150013280e-02 7.505356415720e-03 3.899684451020e-02 -4.593686641160e-03 2.255601291010e-02 -2.370785465130e-02 9.681033354370e-03
|
||||
3*0.0 3.302635516260e-02 -8.103136300470e-03 -3.517616925970e-02 4.913022668650e-03 -2.843009026080e-02 2.982321684140e-02 -1.387397357470e-02 3*0.0 -3.733316232220e-02 7.240598864930e-03 3.801553956980e-02 -4.437533515460e-03 2.184207710520e-02 -2.298868021960e-02 9.360550628620e-03
|
||||
3*0.0 3.233159635880e-02 -7.869550466270e-03 -3.440717913140e-02 4.769688521530e-03 -2.765693231680e-02 2.901494377530e-02 -1.346235344230e-02 3*0.0 -3.630613856480e-02 6.984241299160e-03 3.705350603400e-02 -4.286015608060e-03 2.114746751390e-02 -2.228754670860e-02 9.049427400520e-03
|
||||
3*0.0 3.164730693050e-02 -7.641941170300e-03 -3.365174817490e-02 4.630127267140e-03 -2.690179787060e-02 2.822541229270e-02 -1.306173124150e-02 3*0.0 -3.530021314110e-02 6.736060973000e-03 3.611050215440e-02 -4.139014010740e-03 2.047179914830e-02 -2.160410224740e-02 8.747440454630e-03
|
||||
3*0.0 3.097342862720e-02 -7.420179144550e-03 -3.290971075120e-02 4.494250030390e-03 -2.616437019560e-02 2.745426899570e-02 -1.267185553300e-02 3*0.0 -3.431516542740e-02 6.495839645660e-03 3.518628508550e-02 -3.996412389980e-03 1.981469055490e-02 -2.093799925410e-02 8.454370526930e-03
|
||||
3*0.0 3.030990155700e-02 -7.204137675020e-03 -3.218090152000e-02 4.361969818690e-03 -2.544433504860e-02 2.670116520550e-02 -1.229247953580e-02 3*0.0 -3.335077028290e-02 6.263363590650e-03 3.428061105250e-02 -3.858096941970e-03 1.917576390880e-02 -2.028889446750e-02 8.170002276200e-03
|
||||
3*0.0 2.965666310310e-02 -6.993692035320e-03 -3.146515523040e-02 4.233201431790e-03 -2.474138154980e-02 2.596575693300e-02 -1.192336096560e-02 3*0.0 -3.240679837370e-02 6.038423531130e-03 3.339323554260e-02 -3.723956352890e-03 1.855464510950e-02 -1.965644896730e-02 7.894124250380e-03
|
||||
3*0.0 2.901364942950e-02 -6.788719687420e-03 -3.076230711040e-02 4.107861485190e-03 -2.405520112820e-02 2.524770496060e-02 -1.156426217270e-02 3*0.0 -3.148301642730e-02 5.820814563080e-03 3.252391346740e-02 -3.593881754950e-03 1.795096390500e-02 -1.904032819600e-02 7.626528854850e-03
|
||||
3*0.0 2.838079420230e-02 -6.589100279330e-03 -3.007219250780e-02 3.985868354280e-03 -2.338548862950e-02 2.454667477460e-02 -1.121494997730e-02 3*0.0 -3.057918756060e-02 5.610336130930e-03 3.167239933070e-02 -3.467766686390e-03 1.736435392820e-02 -1.844020197630e-02 7.367012317760e-03
|
||||
3*0.0 2.775802972940e-02 -6.394715430120e-03 -2.939464745240e-02 3.867142126650e-03 -2.273194147620e-02 2.386233654200e-02 -1.087519560780e-02 3*0.0 -2.969507156650e-02 5.406791948240e-03 3.083844738990e-02 -3.345507049850e-03 1.679445280170e-02 -1.785574452120e-02 7.115374655090e-03
|
||||
3*0.0 2.714528618710e-02 -6.205448972050e-03 -2.872950834960e-02 3.751604609400e-03 -2.209426069800e-02 2.319436508800e-02 -1.054477463260e-02 3*0.0 -2.883042513670e-02 5.209989959120e-03 3.002181180380e-02 -3.227001071440e-03 1.624090225520e-02 -1.728663445040e-02 6.871419634600e-03
|
||||
3*0.0 2.654249234880e-02 -6.021186720230e-03 -2.807661209830e-02 3.639179253030e-03 -2.147214985920e-02 2.254243988020e-02 -1.022346692900e-02 3*0.0 -2.798500224900e-02 5.019742274990e-03 2.922224678330e-02 -3.112149260070e-03 1.570334811270e-02 -1.673255479090e-02 6.634954739530e-03
|
||||
3*0.0 2.594957514990e-02 -5.841816581260e-03 -2.743579629720e-02 3.529791159590e-03 -2.086531605060e-02 2.190624505590e-02 -9.911056656940e-03 3*0.0 -2.715855431910e-02 4.835865128730e-03 2.843950672960e-02 -3.000854367550e-03 1.518144043540e-02 -1.619319298710e-02 6.405791130640e-03
|
||||
3*0.0 2.536645997780e-02 -5.667228411640e-03 -2.680689906490e-02 3.423367019000e-03 -2.027346934780e-02 2.128546932130e-02 -9.607332134460e-03 3*0.0 -2.635083044160e-02 4.658178783910e-03 2.767334637130e-02 -2.893021348440e-03 1.467483355920e-02 -1.566824089920e-02 6.183743606740e-03
|
||||
3*0.0 2.479307081590e-02 -5.497314008730e-03 -2.618975928910e-02 3.319835106300e-03 -1.969632286950e-02 2.067980599030e-02 -9.312085848800e-03 3*0.0 -2.556157774430e-02 4.486507516190e-03 2.692352089420e-02 -2.788557321030e-03 1.418318610770e-02 -1.515739480260e-02 5.968630567720e-03
|
||||
3*0.0 2.422933050800e-02 -5.331967249370e-03 -2.558421579500e-02 3.219125215420e-03 -1.913359296830e-02 2.008895314660e-02 -9.025114574880e-03 3*0.0 -2.479054154930e-02 4.320679546550e-03 2.618978606370e-02 -2.687371527580e-03 1.370616110990e-02 -1.466035538500e-02 5.760273972790e-03
|
||||
3*0.0 2.367515887780e-02 -5.171083712130e-03 -2.499011050690e-02 3.121168714160e-03 -1.858499998400e-02 1.951261267910e-02 -8.746218333320e-03 3*0.0 -2.403746561800e-02 4.160526969970e-03 2.547189834830e-02 -2.589375296470e-03 1.324342599080e-02 -1.417682773880e-02 5.558499301140e-03
|
||||
3*0.0 2.313047635760e-02 -5.014561159490e-03 -2.440728375670e-02 3.025898398960e-03 -1.805026652190e-02 1.895049174570e-02 -8.475201937180e-03 3*0.0 -2.330209235630e-02 4.005885705380e-03 2.476961502710e-02 -2.494482002940e-03 1.279465265400e-02 -1.370652135520e-02 5.363135510710e-03
|
||||
3*0.0 2.259520125370e-02 -4.862299036170e-03 -2.383557750900e-02 2.933248538260e-03 -1.752911875280e-02 1.840230171480e-02 -8.211873826010e-03 3*0.0 -2.258416304180e-02 3.856595425440e-03 2.408269430500e-02 -2.402607032060e-03 1.235951748970e-02 -1.324915011010e-02 5.174014997270e-03
|
||||
3*0.0 2.206925063670e-02 -4.714198675020e-03 -2.327483471400e-02 2.843154837350e-03 -1.702128643670e-02 1.786775836510e-02 -7.956046246490e-03 3*0.0 -2.188341811550e-02 3.712499550230e-03 2.341089541250e-02 -2.313667740300e-03 1.193770140950e-02 -1.280443225370e-02 4.990973552420e-03
|
||||
3*0.0 2.155254039500e-02 -4.570163212560e-03 -2.272489916710e-02 2.755554406230e-03 -1.652650221260e-02 1.734658190600e-02 -7.707535279550e-03 3*0.0 -2.119959720650e-02 3.573445103490e-03 2.275397870900e-02 -2.227583419790e-03 1.152888989760e-02 -1.237209039340e-02 4.813850320410e-03
|
||||
3*0.0 2.104498536940e-02 -4.430097732690e-03 -2.218561568340e-02 2.670385724570e-03 -1.604450257850e-02 1.683849691360e-02 -7.466160698990e-03 3*0.0 -2.053243949870e-02 3.439282728290e-03 2.211170577460e-02 -2.144275260010e-03 1.113277299210e-02 -1.195185147710e-02 4.642487756910e-03
|
||||
3*0.0 2.054649946100e-02 -4.293908921570e-03 -2.165682997020e-02 2.587588619110e-03 -1.557502694500e-02 1.634323229830e-02 -7.231745978490e-03 3*0.0 -1.988168381980e-02 3.309866597130e-03 2.148383950080e-02 -2.063666313330e-03 1.074904534010e-02 -1.154344677610e-02 4.476731585570e-03
|
||||
3*0.0 2.005699510970e-02 -4.161505312720e-03 -2.113838904620e-02 2.507104251350e-03 -1.511781823270e-02 1.586052122290e-02 -7.004118148260e-03 3*0.0 -1.924706884360e-02 3.185054349050e-03 2.087014417740e-02 -1.985681457650e-03 1.037740621650e-02 -1.114661186130e-02 4.316430754480e-03
|
||||
3*0.0 1.957638445760e-02 -4.032797129720e-03 -2.063014034870e-02 2.428875068000e-03 -1.467262274180e-02 1.539010129990e-02 -6.783107985180e-03 3*0.0 -1.862833328660e-02 3.064707053270e-03 2.027038557190e-02 -1.910247361870e-03 1.001755951310e-02 -1.076108658410e-02 4.161437394340e-03
|
||||
3*0.0 1.910457820120e-02 -3.907696382380e-03 -2.013193298150e-02 2.352844797980e-03 -1.423919002320e-02 1.493171418120e-02 -6.568549585930e-03 3*0.0 -1.802521603710e-02 2.948689129140e-03 1.968433100930e-02 -1.837292450730e-03 9.669213755250e-03 -1.038661504820e-02 4.011606772090e-03
|
||||
3*0.0 1.864148627810e-02 -3.786116659980e-03 -1.964361698890e-02 2.278958413200e-03 -1.381727325580e-02 1.448510577570e-02 -6.360280549400e-03 3*0.0 -1.743745637460e-02 2.836868313040e-03 1.911174944530e-02 -1.766746870980e-03 9.332082099850e-03 -1.002294558720e-02 3.866797250150e-03
|
||||
3*0.0 1.818701792970e-02 -3.667973284080e-03 -1.916504349280e-02 2.207162110310e-03 -1.340662875380e-02 1.405002615680e-02 -6.158141894090e-03 3*0.0 -1.686479405080e-02 2.729115570670e-03 1.855241153360e-02 -1.698542456230e-03 9.005882364370e-03 -9.669830735670e-03 3.726870240780e-03
|
||||
3*0.0 1.774108160760e-02 -3.553183193170e-03 -1.869606479340e-02 2.137403289160e-03 -1.300701626240e-02 1.362622951330e-02 -5.961977980880e-03 3*0.0 -1.630696950380e-02 2.625305065060e-03 1.800608969380e-02 -1.632612694390e-03 8.690336992060e-03 -9.327027200350e-03 3.591690162780e-03
|
||||
3*0.0 1.730358513590e-02 -3.441664959040e-03 -1.823653435910e-02 2.069630522540e-03 -1.261819890880e-02 1.321347410780e-02 -5.771636450710e-03 3*0.0 -1.576372396430e-02 2.525314095260e-03 1.747255817180e-02 -1.568892694050e-03 8.385173068510e-03 -8.994295831530e-03 3.461124397230e-03
|
||||
3*0.0 1.687443560920e-02 -3.333338730470e-03 -1.778630681600e-02 2.003793531390e-03 -1.223994329290e-02 1.281152224640e-02 -5.586968178800e-03 3*0.0 -1.523479960600e-02 2.429023032760e-03 1.695159309750e-02 -1.507319151760e-03 8.090122311960e-03 -8.671401591320e-03 3.335043244260e-03
|
||||
3*0.0 1.645353948780e-02 -3.228126223560e-03 -1.734523805910e-02 1.939843175320e-03 -1.187201921030e-02 1.242014023760e-02 -5.407827242440e-03 3*0.0 -1.471993965760e-02 2.336315268520e-03 1.644297254080e-02 -1.447830320090e-03 7.804921063270e-03 -8.358113520800e-03 3.213319877830e-03
|
||||
3*0.0 1.604080269840e-02 -3.125950714920e-03 -1.691318518120e-02 1.877731419310e-03 -1.151419997250e-02 1.203909833790e-02 -5.234070828070e-03 3*0.0 -1.421888855460e-02 2.247077152140e-03 1.594647656500e-02 -1.390365976180e-03 7.529310260230e-03 -8.054204706110e-03 3.095830302830e-03
|
||||
3*0.0 1.563613089120e-02 -3.026737007180e-03 -1.649000651640e-02 1.817411308970e-03 -1.116626212830e-02 1.166817073600e-02 -5.065559223000e-03 3*0.0 -1.373139205750e-02 2.161197958040e-03 1.546188726960e-02 -1.334867389530e-03 7.263035439550e-03 -7.759452245340e-03 2.982453310740e-03
|
||||
3*0.0 1.523942883840e-02 -2.930411376860e-03 -1.607556168380e-02 1.758836961720e-03 -1.082798569350e-02 1.130713547270e-02 -4.902155702640e-03 3*0.0 -1.325719734210e-02 2.078569801720e-03 1.498898883930e-02 -1.281277291940e-03 7.005846704250e-03 -7.473637211800e-03 2.873070436080e-03
|
||||
3*0.0 1.485060133070e-02 -2.836901682700e-03 -1.566971156320e-02 1.701963532680e-03 -1.049915394170e-02 1.095577444080e-02 -4.743726554720e-03 3*0.0 -1.279605314030e-02 1.999087607540e-03 1.452756758530e-02 -1.229539847130e-03 6.757498721620e-03 -7.196544618010e-03 2.767565912570e-03
|
||||
3*0.0 1.446955250750e-02 -2.746137091720e-03 -1.527231832870e-02 1.646747200350e-03 -1.017955345680e-02 1.061387332830e-02 -4.590140983980e-03 3*0.0 -1.234770979730e-02 1.922649035020e-03 1.407741198130e-02 -1.179600620090e-03 6.517750684100e-03 -6.927963379050e-03 2.665826629740e-03
|
||||
3*0.0 1.409618629820e-02 -2.658048344840e-03 -1.488324546540e-02 1.593145144710e-03 -9.868974223050e-03 1.028122155560e-02 -4.441271049960e-03 3*0.0 -1.191191943440e-02 1.849154452060e-03 1.363831270430e-02 -1.131406548790e-03 6.286366291690e-03 -6.667686272670e-03 2.567742089270e-03
|
||||
3*0.0 1.373040632260e-02 -2.572567502310e-03 -1.450235776830e-02 1.541115527790e-03 -9.567209487200e-03 9.957612259260e-03 -4.296991651410e-03 3*0.0 -1.148843598440e-02 1.778506852330e-03 1.321006266260e-02 -1.084905913950e-03 6.063113728320e-03 -6.415509902440e-03 2.473204362280e-03
|
||||
3*0.0 1.337211622720e-02 -2.489628151820e-03 -1.412952136450e-02 1.490617471770e-03 -9.274055742710e-03 9.642842246420e-03 -4.157180466640e-03 3*0.0 -1.107701532320e-02 1.710611831640e-03 1.279245702920e-02 -1.040048311390e-03 5.847765624860e-03 -6.171234657410e-03 2.382108046240e-03
|
||||
3*0.0 1.302121895970e-02 -2.409165070050e-03 -1.376460371190e-02 1.441611040460e-03 -8.989312842990e-03 9.336711933570e-03 -4.021717882060e-03 3*0.0 -1.067741531910e-02 1.645377504430e-03 1.238529326920e-02 -9.967846234570e-04 5.640099037120e-03 -5.934664671240e-03 2.294350221920e-03
|
||||
3*0.0 1.267761788250e-02 -2.331114574910e-03 -1.340747361730e-02 1.394057223460e-03 -8.712783821730e-03 9.039025323940e-03 -3.890486980300e-03 3*0.0 -1.028939594590e-02 1.582714483590e-03 1.198837116470e-02 -9.550669917710e-04 5.439895405290e-03 -5.705607782370e-03 2.209830411200e-03
|
||||
3*0.0 1.234121573990e-02 -2.255414146570e-03 -1.305800124870e-02 1.347917911190e-03 -8.444275043950e-03 8.749589949560e-03 -3.763373451770e-03 3*0.0 -9.912719329520e-03 1.522535811780e-03 1.160149283620e-02 -9.148487891770e-04 5.246940540760e-03 -5.483875493200e-03 2.128450534810e-03
|
||||
3*0.0 1.201191572590e-02 -2.182002748080e-03 -1.271605812670e-02 1.303155882460e-03 -8.183595955500e-03 8.468216840120e-03 -3.640265592540e-03 3*0.0 -9.547149837880e-03 1.464756909020e-03 1.122446276600e-02 -8.760845942840e-04 5.061024547170e-03 -5.269282926600e-03 2.050114870390e-03
|
||||
3*0.0 1.168962059870e-02 -2.110820525790e-03 -1.238151713010e-02 1.259734778720e-03 -7.930559350020e-03 8.194720471390e-03 -3.521054217720e-03 3*0.0 -9.192454143450e-03 1.409295539940e-03 1.085708781390e-02 -8.387301639950e-04 4.881941837640e-03 -5.061648785420e-03 1.974730010570e-03
|
||||
3*0.0 1.137423342260e-02 -2.041808916100e-03 -1.205425252390e-02 1.217619095140e-03 -7.684981104530e-03 7.928918726070e-03 -3.405632641670e-03 3*0.0 -8.848401278510e-03 1.356071743660e-03 1.049917723340e-02 -8.027424080940e-04 4.709491063750e-03 -4.860795309100e-03 1.902204822090e-03
|
||||
3*0.0 1.106565706010e-02 -1.974910628410e-03 -1.173413996090e-02 1.176774159670e-03 -7.446680336780e-03 7.670632849440e-03 -3.293896620220e-03 3*0.0 -8.514762700050e-03 1.305007799950e-03 1.015054268710e-02 -7.680793640360e-04 4.543475073340e-03 -4.666548230670e-03 1.832450404380e-03
|
||||
3*0.0 1.076379476390e-02 -1.910069602130e-03 -1.142105644780e-02 1.137166110870e-03 -7.215479237190e-03 7.419687403910e-03 -3.185744303670e-03 3*0.0 -8.191312337920e-03 1.256028175600e-03 9.810998256450e-03 -7.347001714660e-04 4.383700890790e-03 -4.478736734230e-03 1.765380048920e-03
|
||||
3*0.0 1.046854971490e-02 -1.847230995860e-03 -1.111488039930e-02 1.098761888940e-03 -6.991203100470e-03 7.175910228170e-03 -3.081076203860e-03 3*0.0 -7.877826664270e-03 1.209059479130e-03 9.480360453400e-03 -7.025650480150e-04 4.229979650380e-03 -4.297193410300e-03 1.700909199270e-03
|
||||
3*0.0 1.017982533760e-02 -1.786341150400e-03 -1.081549159760e-02 1.061529211900e-03 -6.773680413710e-03 6.939132398770e-03 -2.979795141490e-03 3*0.0 -7.574084719500e-03 1.164030415810e-03 9.158448226700e-03 -6.716352649020e-04 4.082126582460e-03 -4.121754213260e-03 1.638955410600e-03
|
||||
3*0.0 9.897525178880e-03 -1.727347554730e-03 -1.052277123770e-02 1.025436566070e-03 -6.562742624460e-03 6.709188174490e-03 -2.881806202560e-03 3*0.0 -7.279868165880e-03 1.120871733700e-03 8.845082969200e-03 -6.418731233110e-04 3.939960934080e-03 -3.952258416320e-03 1.579438310300e-03
|
||||
3*0.0 9.621553105140e-03 -1.670198904280e-03 -1.023660189060e-02 9.904531853320e-04 -6.358224307300e-03 6.485914964920e-03 -2.787016695340e-03 3*0.0 -6.994961322010e-03 1.079516186240e-03 8.540088521720e-03 -6.132419313250e-04 3.803305958890e-03 -3.788548568540e-03 1.522279559010e-03
|
||||
3*0.0 9.351813207620e-03 -1.614845008440e-03 -9.956867530650e-03 9.565490382580e-04 -6.159962970650e-03 6.269153287780e-03 -2.695336122220e-03 3*0.0 -6.719151207590e-03 1.039898484530e-03 8.243291175680e-03 -5.857059806580e-04 3.671988830620e-03 -3.630470449510e-03 1.467402811210e-03
|
||||
3*0.0 9.088210120060e-03 -1.561236811480e-03 -9.683453498840e-03 9.236948069590e-04 -5.967799271010e-03 6.058746714900e-03 -2.606676110630e-03 3*0.0 -6.452227586140e-03 1.001955263040e-03 7.954519676270e-03 -5.592305242300e-04 3.545840671430e-03 -3.477873025580e-03 1.414733677300e-03
|
||||
3*0.0 8.830648301360e-03 -1.509326291980e-03 -9.416246582520e-03 8.918618831150e-04 -5.781576312860e-03 5.854541838250e-03 -2.520950409910e-03 3*0.0 -6.193982930560e-03 9.656249888820e-04 7.673605215980e-03 -5.337817547600e-04 3.424696376150e-03 -3.330608406190e-03 1.364199685410e-03
|
||||
3*0.0 8.579033071180e-03 -1.459066625900e-03 -9.155134868710e-03 8.610223375250e-04 -5.601141257400e-03 5.656388239260e-03 -2.438074792690e-03 3*0.0 -5.944212584630e-03 9.308480193130e-04 7.400381442520e-03 -5.093267821700e-04 3.308394717640e-03 -3.188531797850e-03 1.315730243610e-03
|
||||
3*0.0 8.333269749300e-03 -1.410411890300e-03 -8.900007934630e-03 8.311489258200e-04 -5.426342961760e-03 5.464138411150e-03 -2.357967088090e-03 3*0.0 -5.702714608270e-03 8.975664347850e-04 7.134684441890e-03 -4.858336120950e-04 3.196778164280e-03 -3.051501461760e-03 1.269256603210e-03
|
||||
3*0.0 8.093264317710e-03 -1.363317266960e-03 -8.650756667270e-03 8.022150508520e-04 -5.257033802600e-03 5.277647761710e-03 -2.280547086740e-03 3*0.0 -5.469289969260e-03 8.657240906370e-04 6.876352747490e-03 -4.632711266260e-04 3.089692918290e-03 -2.919378667270e-03 1.224711821330e-03
|
||||
3*0.0 7.858923560140e-03 -1.317739292520e-03 -8.407273383280e-03 7.741947693100e-04 -5.093068942380e-03 5.096774538240e-03 -2.205736521210e-03 3*0.0 -5.243742491290e-03 8.352665579720e-04 6.625227329690e-03 -4.416090630110e-04 2.986988840270e-03 -2.792027648890e-03 1.182030724960e-03
|
||||
3*0.0 7.630153675060e-03 -1.273634822370e-03 -8.169451774900e-03 7.470627651030e-04 -4.934305946310e-03 4.921379794750e-03 -2.133459035460e-03 3*0.0 -5.025878817580e-03 8.061410402420e-04 6.381151581610e-03 -4.208179927890e-04 2.888519354120e-03 -2.669315562240e-03 1.141149875260e-03
|
||||
3*0.0 7.406862537860e-03 -1.230962359350e-03 -7.937186877960e-03 7.207943364220e-04 -4.780606162400e-03 4.751327364230e-03 -2.063640123270e-03 3*0.0 -4.815508482830e-03 7.782963735800e-04 6.143971317670e-03 -4.008693024620e-04 2.794141490300e-03 -2.551112439570e-03 1.102007531750e-03
|
||||
3*0.0 7.188958033540e-03 -1.189680982700e-03 -7.710375140930e-03 6.953653916130e-04 -4.631832335340e-03 4.586483792440e-03 -1.996207127320e-03 3*0.0 -4.612443950720e-03 7.516829747180e-04 5.913534766420e-03 -3.817351758070e-04 2.703715728430e-03 -2.437291144920e-03 1.064543617430e-03
|
||||
3*0.0 6.976348238510e-03 -1.149750859320e-03 -7.488914367440e-03 6.707524290590e-04 -4.487851315190e-03 4.426718333320e-03 -1.931089157840e-03 3*0.0 -4.416500553570e-03 7.262528208800e-04 5.689692550670e-03 -3.633885721040e-04 2.617106030100e-03 -2.327727331680e-03 1.028699684140e-03
|
||||
3*0.0 6.768942491120e-03 -1.111133166230e-03 -7.272703727000e-03 6.469325240830e-04 -4.348531654940e-03 4.271902860440e-03 -1.868217097790e-03 3*0.0 -4.227496517140e-03 7.019593635180e-04 5.472297684420e-03 -3.458032096110e-04 2.534179754540e-03 -2.222299398120e-03 9.944188789640e-04
|
||||
3*0.0 6.566650481220e-03 -1.073789915600e-03 -7.061643734130e-03 6.238833163870e-04 -4.213745125820e-03 4.121911874640e-03 -1.807523541900e-03 3*0.0 -4.045253053870e-03 6.787575721360e-04 5.261205555580e-03 -3.289535471590e-04 2.454807575320e-03 -2.120888444280e-03 9.616459098930e-04
|
||||
3*0.0 6.369382239870e-03 -1.037684005380e-03 -6.855636282890e-03 6.015830039680e-04 -4.083365928650e-03 3.976622432800e-03 -1.748942769840e-03 3*0.0 -3.869594227340e-03 6.566038135440e-04 5.056273917090e-03 -3.128147655590e-04 2.378863499770e-03 -2.023378227320e-03 9.303270130000e-04
|
||||
3*0.0 6.177049000500e-03 -1.002779339740e-03 -6.654584598940e-03 5.800103227220e-04 -3.957270808900e-03 3.835914114400e-03 -1.692410718310e-03 3*0.0 -3.700347019890e-03 6.354558668490e-04 4.857362863920e-03 -2.973627503180e-04 2.306224752530e-03 -1.929655121380e-03 9.004099199160e-04
|
||||
3*0.0 5.989561984000e-03 -9.690404703760e-04 -6.458393244140e-03 5.591445386090e-04 -3.835339369480e-03 3.699668996180e-03 -1.637864929010e-03 3*0.0 -3.537341299970e-03 6.152728488780e-04 4.664334826270e-03 -2.825740748190e-04 2.236771755950e-03 -1.839608071750e-03 8.718438252630e-04
|
||||
3*0.0 5.806833878530e-03 -9.364330863590e-04 -6.266968131550e-03 5.389654366800e-04 -3.717453311020e-03 3.567771591060e-03 -1.585244539710e-03 3*0.0 -3.380409941430e-03 5.960152498440e-04 4.477054550820e-03 -2.684259831470e-04 2.170388055120e-03 -1.753128553720e-03 8.445793549100e-04
|
||||
3*0.0 5.628777200980e-03 -9.049234824840e-04 -6.080216493010e-03 5.194533083200e-04 -3.603497330570e-03 3.440108833040e-03 -1.534490226530e-03 3*0.0 -3.229388631820e-03 5.776448219790e-04 4.295389084840e-03 -2.548963746590e-04 2.106960297220e-03 -1.670110530030e-03 8.185685347930e-04
|
||||
3*0.0 5.455306095530e-03 -8.744789861100e-04 -5.898046873360e-03 5.005889405840e-04 -3.493358382440e-03 3.316570021160e-03 -1.485544187270e-03 3*0.0 -3.084115977280e-03 5.601245882410e-04 4.119207753900e-03 -2.419637857930e-04 2.046378158390e-03 -1.590450409490e-03 7.937647601350e-04
|
||||
3*0.0 5.286334614820e-03 -8.450675187750e-04 -5.720369154400e-03 4.823536050450e-04 -3.386925819780e-03 3.197046783160e-03 -1.438350106640e-03 3*0.0 -2.944433469540e-03 5.434187872720e-04 3.948382148890e-03 -2.296073762370e-04 1.988534276410e-03 -1.514047004570e-03 7.701227646850e-04
|
||||
3*0.0 5.121778081930e-03 -8.166578894550e-04 -5.547094486310e-03 4.647290446690e-04 -3.284091585720e-03 3.081433050810e-03 -1.392853121180e-03 3*0.0 -2.810185485580e-03 5.274928740230e-04 3.782786107070e-03 -2.178069123510e-04 1.933324242720e-03 -1.440801489710e-03 7.475985911360e-04
|
||||
3*0.0 4.961552630460e-03 -7.892198227300e-04 -5.378135356030e-03 4.476974705320e-04 -3.184749627680e-03 2.969625003520e-03 -1.348999799010e-03 3*0.0 -2.681219245210e-03 5.123134559120e-04 3.622295690600e-03 -2.065427531300e-04 1.880646508650e-03 -1.370617361520e-03 7.261495616080e-04
|
||||
3*0.0 4.805574740660e-03 -7.627235625120e-04 -5.213405504670e-03 4.312415418770e-04 -3.088796849600e-03 2.861521052170e-03 -1.306738087200e-03 3*0.0 -2.557384836130e-03 4.978482805940e-04 3.466789166460e-03 -1.957958336820e-04 1.830402358900e-03 -1.303400397310e-03 7.057342485450e-04
|
||||
3*0.0 4.653762206560e-03 -7.371402194570e-04 -5.052819970230e-03 4.153443624690e-04 -2.996131934460e-03 2.757021783090e-03 -1.266017311550e-03 3*0.0 -2.438535164510e-03 4.840661839050e-04 3.316146988000e-03 -1.855476523110e-04 1.782495829330e-03 -1.239058614490e-03 6.863124462170e-04
|
||||
3*0.0 4.506033162480e-03 -7.124417354240e-04 -4.896295072230e-03 3.999894718280e-04 -2.906656150360e-03 2.656029937990e-03 -1.226788121120e-03 3*0.0 -2.324525954260e-03 4.709370958090e-04 3.170251773400e-03 -1.757802555500e-04 1.736833706910e-03 -1.177502231100e-03 6.678451426670e-04
|
||||
3*0.0 4.362307152480e-03 -6.886006312580e-04 -4.743748359160e-03 3.851608268330e-04 -2.820272926730e-03 2.558450364100e-03 -1.189002474600e-03 3*0.0 -2.215215761500e-03 4.584319814820e-04 3.028988284750e-03 -1.664762243250e-04 1.693325417370e-03 -1.118643625770e-03 6.502944921110e-04
|
||||
3*0.0 4.222503936660e-03 -6.655901485700e-04 -4.595098660150e-03 3.708428012200e-04 -2.736887882500e-03 2.464189987880e-03 -1.152613608950e-03 3*0.0 -2.110465857150e-03 4.465228220650e-04 2.892243402750e-03 -1.576186601100e-04 1.651883039340e-03 -1.062397299400e-03 6.336237877080e-04
|
||||
3*0.0 4.086544389010e-03 -6.433842191120e-04 -4.450266041250e-03 3.570201730740e-04 -2.656408901220e-03 2.373157777740e-03 -1.117576008140e-03 3*0.0 -2.010140318090e-03 4.351825858630e-04 2.759906109640e-03 -1.491911721560e-04 1.612421192730e-03 -1.008679835100e-03 6.177974349860e-04
|
||||
3*0.0 3.954350462330e-03 -6.219575702140e-04 -4.309171796720e-03 3.436781146600e-04 -2.578745920260e-03 2.285264706200e-03 -1.083845378910e-03 3*0.0 -1.914105978460e-03 4.243852108120e-04 2.631867466370e-03 -1.411778646130e-04 1.574857014050e-03 -9.574098602380e-04 6.027809254430e-04
|
||||
3*0.0 3.825844600080e-03 -6.012854328210e-04 -4.171738444010e-03 3.308021838020e-04 -2.503811108520e-03 2.200423719210e-03 -1.051378621710e-03 3*0.0 -1.822232315400e-03 4.141055510120e-04 2.508020584000e-03 -1.335633223980e-04 1.539110131080e-03 -9.085080089830e-04 5.885408108370e-04
|
||||
3*0.0 3.700950415510e-03 -5.813437861050e-04 -4.037889716430e-03 3.183783161130e-04 -2.431518716470e-03 2.118549702920e-03 -1.020133807500e-03 3*0.0 -1.734391559810e-03 4.043193850800e-04 2.388260609020e-03 -1.263326006170e-04 1.505102576540e-03 -8.618968836320e-04 5.750446777360e-04
|
||||
3*0.0 3.579592263200e-03 -5.621092218500e-04 -3.907550552700e-03 3.063928161190e-04 -2.361784926780e-03 2.039559442700e-03 -9.900701474550e-04 3*0.0 -1.650458617860e-03 3.950033759040e-04 2.272484693490e-03 -1.194712109290e-04 1.472758743020e-03 -8.175010179810e-04 5.622611228080e-04
|
||||
3*0.0 3.461695595220e-03 -5.435589621900e-04 -3.780647075040e-03 2.948323472270e-04 -2.294528115240e-03 1.963371598540e-03 -9.611479731420e-04 3*0.0 -1.570311030540e-03 3.861350425930e-04 2.160591975060e-03 -1.129651104900e-04 1.442005352950e-03 -7.752468405580e-04 5.501597281200e-04
|
||||
3*0.0 3.347186328870e-03 -5.256707875300e-04 -3.657106603600e-03 2.836839252100e-04 -2.229668491170e-03 1.889906666130e-03 -9.333287038790e-04 3*0.0 -1.493828910730e-03 3.776927154250e-04 2.052483550310e-03 -1.068006894720e-04 1.412771407540e-03 -7.350626381680e-04 5.387110371940e-04
|
||||
3*0.0 3.235991771970e-03 -5.084231705370e-04 -3.536857609510e-03 2.729349092290e-04 -2.167128434750e-03 1.819086951020e-03 -9.065748271780e-04 3*0.0 -1.420895018090e-03 3.696555578490e-04 1.948062454020e-03 -1.009647604280e-04 1.384988122080e-03 -6.968785196020e-04 5.278865314570e-04
|
||||
3*0.0 3.128039818900e-03 -4.917950528380e-04 -3.419829742190e-03 2.625729946460e-04 -2.106832007810e-03 1.750836524290e-03 -8.808498763370e-04 3*0.0 -1.351394640510e-03 3.620035107100e-04 1.847233632010e-03 -9.544454670850e-05 1.358588897010e-03 -6.606263809470e-04 5.176586070310e-04
|
||||
3*0.0 3.023259642740e-03 -4.757660695200e-04 -3.305953789240e-03 2.525862041980e-04 -2.048705285620e-03 1.685081204260e-03 -8.561184036850e-04 3*0.0 -1.285215637240e-03 3.547172739230e-04 1.749903919670e-03 -9.022767184900e-05 1.333509255850e-03 -6.262398693760e-04 5.080005519950e-04
|
||||
3*0.0 2.921580873230e-03 -4.603163170630e-04 -3.195161686100e-03 2.429628802840e-04 -1.992676307610e-03 1.621748520040e-03 -8.323459536570e-04 3*0.0 -1.222248366450e-03 3.477782926490e-04 1.655982017050e-03 -8.530214862680e-05 1.309686805600e-03 -5.936543492720e-04 4.988865240650e-04
|
||||
3*0.0 2.822934467940e-03 -4.454265117780e-04 -3.087386493750e-03 2.336916796930e-04 -1.938674685210e-03 1.560767673030e-03 -8.094990492450e-04 3*0.0 -1.162385658350e-03 3.411687286000e-04 1.565378462020e-03 -8.065636913000e-05 1.287061196550e-03 -5.628068679520e-04 4.902915287080e-04
|
||||
3*0.0 2.727252133490e-03 -4.310778590320e-04 -2.982562380600e-03 2.247615626510e-04 -1.886632137970e-03 1.502069521500e-03 -7.875451594200e-04 3*0.0 -1.105522785610e-03 3.348714327420e-04 1.478005607320e-03 -7.627909372210e-05 1.265574061000e-03 -5.336361217880e-04 4.821913976380e-04
|
||||
3*0.0 2.634466529020e-03 -4.172521081940e-04 -2.880624627070e-03 2.161617881270e-04 -1.836482026100e-03 1.445586536280e-03 -7.664526823890e-04 3*0.0 -1.051557451160e-03 3.288699410480e-04 1.393777597090e-03 -7.215944210780e-05 1.245169000220e-03 -5.060824226470e-04 4.745627677400e-04
|
||||
3*0.0 2.544511392130e-03 -4.039315306570e-04 -2.781509612210e-03 2.078819071880e-04 -1.788159256520e-03 1.391252776850e-03 -7.461909288670e-04 3*0.0 -1.000389777560e-03 3.231484449070e-04 1.312610340650e-03 -6.828688288260e-05 1.225791485040e-03 -4.800876657150e-04 4.673830604750e-04
|
||||
3*0.0 2.457321147840e-03 -3.910988703460e-04 -2.685154789560e-03 1.999117531620e-04 -1.741600791430e-03 1.339003864690e-03 -7.267300874810e-04 3*0.0 -9.519221788120e-04 3.176917581890e-04 1.234421486900e-03 -6.465122438490e-05 1.207388876230e-03 -4.555952964640e-04 4.606304615240e-04
|
||||
3*0.0 2.372831384680e-03 -3.787373871150e-04 -2.591498691670e-03 1.922414396370e-04 -1.696744994370e-03 1.288776947070e-03 -7.080412175850e-04 3*0.0 -9.060594747330e-04 3.124853222790e-04 1.159130403380e-03 -6.124260554710e-05 1.189910320170e-03 -4.325502785530e-04 4.542839009300e-04
|
||||
3*0.0 2.290978571590e-03 -3.668308126200e-04 -2.500480899660e-03 1.848613481690e-04 -1.653531998040e-03 1.240510673220e-03 -6.900962208340e-04 3*0.0 -8.627087039660e-04 3.075151656320e-04 1.086658145930e-03 -5.805148619460e-05 1.173306771930e-03 -4.108990632460e-04 4.483230337540e-04
|
||||
3*0.0 2.211700061050e-03 -3.553633530140e-04 -2.412042049440e-03 1.777621266700e-04 -1.611903585480e-03 1.194145167460e-03 -6.728678206020e-04 3*0.0 -8.217792321640e-04 3.027679020220e-04 1.016927440760e-03 -5.506863944960e-05 1.157530884030e-03 -3.905895570470e-04 4.427282208110e-04
|
||||
3*0.0 2.134934231400e-03 -3.443196523450e-04 -2.326123818860e-03 1.709346807980e-04 -1.571802983250e-03 1.149621994820e-03 -6.563295517550e-04 3*0.0 -7.831826412220e-04 2.982307046680e-04 9.498626541740e-04 -5.228514187810e-05 1.142537010930e-03 -3.715710921560e-04 4.374805100660e-04
|
||||
3*0.0 2.060620337970e-03 -3.336848094490e-04 -2.242668894490e-03 1.643701669010e-04 -1.533175164980e-03 1.106884142100e-03 -6.404557269100e-04 3*0.0 -7.468326946610e-04 2.938912809730e-04 8.853897699800e-04 -4.969236538030e-05 1.128281163310e-03 -3.537943959520e-04 4.325616183640e-04
|
||||
3*0.0 1.988698722860e-03 -3.234443958440e-04 -2.161620992360e-03 1.580599888230e-04 -1.495966409740e-03 1.065875979270e-03 -6.252214307800e-04 3*0.0 -7.126453455840e-04 2.897378689120e-04 8.234363657000e-04 -4.728196957710e-05 1.114720934130e-03 -3.372115607870e-04 4.279539133300e-04
|
||||
3*0.0 1.919110447850e-03 -3.135843670080e-04 -2.082924819500e-03 1.519957888850e-04 -1.460124689120e-03 1.026543246360e-03 -6.106024935390e-04 3*0.0 -6.805386619310e-04 2.857592076680e-04 7.639315874870e-04 -4.504589291930e-05 1.101815515400e-03 -3.217760154830e-04 4.236403959550e-04
|
||||
3*0.0 1.851797635020e-03 -3.040910912340e-04 -2.006526077780e-03 1.461694440510e-04 -1.425599332920e-03 9.888330153180e-04 -5.965754751760e-04 3*0.0 -6.504328357060e-04 2.819445373610e-04 7.068061248510e-04 -4.297634564250e-05 1.089525596960e-03 -3.074424961660e-04 4.196046832990e-04
|
||||
3*0.0 1.786703485530e-03 -2.949513882760e-04 -1.932371440660e-03 1.405730592430e-04 -1.392341117860e-03 9.526936691570e-04 -5.831176491270e-04 3*0.0 -6.222501148490e-04 2.782835606520e-04 6.519921894270e-04 -4.106580155550e-05 1.077813381990e-03 -2.941670174040e-04 4.158309916820e-04
|
||||
3*0.0 1.723771825010e-03 -2.861524284320e-04 -1.860408554450e-03 1.351989628230e-04 -1.360302312530e-03 9.180748778030e-04 -5.702069807910e-04 3*0.0 -5.959147933650e-04 2.747664513520e-04 5.994234864060e-04 -3.930699080100e-05 1.066642503490e-03 -2.819068452250e-04 4.123041201190e-04
|
||||
3*0.0 1.662947681080e-03 -2.776817998090e-04 -1.790586014960e-03 1.300396997580e-04 -1.329436446080e-03 8.849275688470e-04 -5.578221135620e-04 3*0.0 -5.713531643120e-04 2.713838203050e-04 5.490351941380e-04 -3.769289270270e-05 1.055978020510e-03 -2.706204688100e-04 4.090094342800e-04
|
||||
3*0.0 1.604176884640e-03 -2.695274739320e-04 -1.722853365130e-03 1.250880270150e-04 -1.299698485150e-03 8.532039039890e-04 -5.459423535840e-04 3*0.0 -5.484934946190e-04 2.681267116180e-04 5.007639389600e-04 -3.621672825370e-05 1.045786370430e-03 -2.602675737280e-04 4.059328506370e-04
|
||||
3*0.0 1.547406191520e-03 -2.616777485030e-04 -1.657161071930e-03 1.203369083740e-04 -1.271044703580e-03 8.228572551460e-04 -5.345476480180e-04 3*0.0 -5.272659863620e-04 2.649865782110e-04 4.545477709800e-04 -3.487195375020e-05 1.036035315020e-03 -2.508090153250e-04 4.030608209430e-04
|
||||
3*0.0 1.492583359350e-03 -2.541213274070e-04 -1.593460528020e-03 1.157795095720e-04 -1.243432650530e-03 7.938421800960e-04 -5.236185732500e-04 3*0.0 -5.076027422760e-04 2.619552783170e-04 4.103261407220e-04 -3.365225347210e-05 1.026693938140e-03 -2.422067925860e-04 4.003803172560e-04
|
||||
3*0.0 1.439656944270e-03 -2.468472538710e-04 -1.531704031510e-03 1.114091926690e-04 -1.216821166640e-03 7.661143979600e-04 -5.131363182910e-04 3*0.0 -4.894377458310e-04 2.590250550640e-04 3.680398771110e-04 -3.255153370510e-05 1.017732581130e-03 -2.344240220040e-04 3.978788170060e-04
|
||||
3*0.0 1.388576523930e-03 -2.398448914230e-04 -1.471844771700e-03 1.072195110050e-04 -1.191170321170e-03 7.396307655760e-04 -5.030826672970e-04 3*0.0 -4.727068096430e-04 2.561885228110e-04 3.276311614020e-04 -3.156391558520e-05 1.009122823210e-03 -2.274249126940e-04 3.955442886100e-04
|
||||
3*0.0 1.339292476060e-03 -2.331039704830e-04 -1.413836825260e-03 1.032042053890e-04 -1.166441487860e-03 7.143492569000e-04 -4.934399850050e-04 3*0.0 -4.573475648360e-04 2.534386632630e-04 2.890435069520e-04 -3.068372949700e-05 1.000837443580e-03 -2.211747414100e-04 3.933651773270e-04
|
||||
3*0.0 1.291756238050e-03 -2.266145455070e-04 -1.357635145600e-03 9.935719905740e-05 -1.142597068300e-03 6.902289338500e-04 -4.841912074400e-04 3*0.0 -4.432994169160e-04 2.507688015820e-04 2.522217353800e-04 -2.990550879890e-05 9.928503857210e-04 -2.156398274890e-04 3.913303913880e-04
|
||||
3*0.0 1.245919978210e-03 -2.203669567720e-04 -1.303195535160e-03 9.567259184790e-05 -1.119600773410e-03 6.672299318120e-04 -4.753198163650e-04 3*0.0 -4.305034952890e-04 2.481725948900e-04 2.171119507540e-04 -2.922398323080e-05 9.851367276620e-04 -2.107875097680e-04 3.894292885180e-04
|
||||
3*0.0 1.201736803010e-03 -2.143518792790e-04 -1.250474659900e-03 9.214465817760e-05 -1.097417380300e-03 6.453134317830e-04 -4.668098360820e-04 3*0.0 -4.189026605670e-04 2.456440314090e-04 1.836615234160e-04 -2.863407420510e-05 9.776726522650e-04 -2.065861220410e-04 3.876516626750e-04
|
||||
3*0.0 1.159160771660e-03 -2.085602916550e-04 -1.199430011450e-03 8.876784002610e-05 -1.076012806540e-03 6.244416406760e-04 -4.586458120850e-04 3*0.0 -4.084414330910e-04 2.431774046430e-04 1.518190619070e-04 -2.813088837950e-05 9.704354102260e-04 -2.030049702790e-04 3.859877312080e-04
|
||||
3*0.0 1.118146723810e-03 -2.029834512640e-04 -1.150019913080e-03 8.553674472340e-05 -1.055354051630e-03 6.045777701200e-04 -4.508128009460e-04 3*0.0 -3.990659803990e-04 2.407673127980e-04 1.215343930480e-04 -2.770971225350e-05 9.634032928550e-04 -2.000143097120e-04 3.844281221840e-04
|
||||
3*0.0 1.078650422370e-03 -1.976129193940e-04 -1.102203501460e-03 8.244613927850e-05 -1.035409203810e-03 5.856860147270e-04 -4.432963553410e-04 3*0.0 -3.907240942280e-04 2.384086380250e-04 9.275854121300e-05 -2.736600704710e-05 9.565555942910e-04 -1.975853221270e-04 3.829638620760e-04
|
||||
3*0.0 1.040628497540e-03 -1.924405214040e-04 -1.055940717610e-03 7.949094723900e-05 -1.016147339400e-03 5.677315308100e-04 -4.360825135150e-04 3*0.0 -3.833651320080e-04 2.360965479370e-04 6.544370386990e-05 -2.709540307150e-05 9.498725997780e-04 -1.956900943880e-04 3.815863637880e-04
|
||||
3*0.0 1.004038370490e-03 -1.874583594690e-04 -1.011192294100e-03 7.666624469550e-05 -9.975386199160e-04 5.506804179690e-04 -4.291577817150e-04 3*0.0 -3.769400108220e-04 2.338264747090e-04 3.954323260160e-05 -2.689369518540e-05 9.433355282050e-04 -1.943015963800e-04 3.802874147930e-04
|
||||
3*0.0 9.688384190170e-04 -1.826588110070e-04 -9.679197405180e-04 7.396725511200e-05 -9.795541343840e-04 5.344996965040e-04 -4.225091267310e-04 3*0.0 -3.714011674330e-04 2.315941089210e-04 1.501161010670e-05 -2.675683719760e-05 9.369265276360e-04 -1.933936598600e-04 3.790591657380e-04
|
||||
3*0.0 9.349877557510e-04 -1.780344863510e-04 -9.260853410310e-04 7.138934726870e-05 -9.621659977700e-04 5.191572891550e-04 -4.161239604930e-04 3*0.0 -3.667025139750e-04 2.293953892440e-04 -8.195569928270e-06 -2.668093739970e-05 9.306286413510e-04 -1.929409576750e-04 3.778941192190e-04
|
||||
3*0.0 9.024464209360e-04 -1.735782915420e-04 -8.856521341310e-04 6.892803011350e-05 -9.453472314320e-04 5.046220016350e-04 -4.099901291490e-04 3*0.0 -3.627994439480e-04 2.272264986670e-04 -3.012162291520e-05 -2.666225389900e-05 9.244257688610e-04 -1.929189831240e-04 3.767851188160e-04
|
||||
3*0.0 8.711751777980e-04 -1.692833135800e-04 -8.465839086790e-04 6.657895036530e-05 -9.290718163820e-04 4.908635032340e-04 -4.040959010160e-04 3*0.0 -3.596487355520e-04 2.250838332680e-04 -5.080879692480e-05 -2.669718970820e-05 9.183026550640e-04 -1.933040303360e-04 3.757253384650e-04
|
||||
3*0.0 8.411356669170e-04 -1.651429320560e-04 -8.088451872190e-04 6.433788726520e-05 -9.133145767210e-04 4.778523065020e-04 -3.984299564090e-04 3*0.0 -3.572086100810e-04 2.229640315880e-04 -7.029828828320e-05 -2.678228863560e-05 9.122448529220e-04 -1.940731738210e-04 3.747082719880e-04
|
||||
3*0.0 8.122903592630e-04 -1.611507306610e-04 -7.724012173350e-04 6.220075077460e-05 -8.980512946480e-04 4.655597521890e-04 -3.929813730010e-04 3*0.0 -3.554386325080e-04 2.208639317060e-04 -8.863026601670e-05 -2.691423064760e-05 9.062387007300e-04 -1.952042498120e-04 3.737277229630e-04
|
||||
3*0.0 7.846024286040e-04 -1.573005201140e-04 -7.372179624380e-04 6.016357697910e-05 -8.832585537550e-04 4.539579876030e-04 -3.877396192810e-04 3*0.0 -3.542996869740e-04 2.187805728200e-04 -1.058438904290e-04 -2.708982776370e-05 9.002712976690e-04 -1.966758372240e-04 3.727777948030e-04
|
||||
3*0.0 7.580359253740e-04 -1.535863198700e-04 -7.032620882220e-04 5.822252546050e-05 -8.689138003900e-04 4.430199507900e-04 -3.826945407900e-04 3*0.0 -3.537540008270e-04 2.167111935480e-04 -1.219773305950e-04 -2.730601989290e-05 8.943304798040e-04 -1.984672384040e-04 3.718528810920e-04
|
||||
3*0.0 7.325556794280e-04 -1.500024008830e-04 -6.705009512620e-04 5.637387575760e-05 -8.549952905180e-04 4.327193526860e-04 -3.778363495140e-04 3*0.0 -3.537650501660e-04 2.146532207440e-04 -1.370677873490e-04 -2.755987084100e-05 8.884047913270e-04 -2.005584618900e-04 3.709476561140e-04
|
||||
3*0.0 7.081272375250e-04 -1.465431859370e-04 -6.389025948790e-04 5.461402425170e-05 -8.414820693670e-04 4.230306585320e-04 -3.731556163770e-04 3*0.0 -3.542975879200e-04 2.126042595010e-04 -1.511515087410e-04 -2.784856436100e-05 8.824834623740e-04 -2.029302035130e-04 3.700570657000e-04
|
||||
3*0.0 6.847169460320e-04 -1.432033419710e-04 -6.084357282770e-04 5.293948054020e-05 -8.283539615040e-04 4.139290726230e-04 -3.686432583790e-04 3*0.0 -3.553175580110e-04 2.105620833320e-04 -1.642638120810e-04 -2.816940040270e-05 8.765563923230e-04 -2.055638297510e-04 3.691763182520e-04
|
||||
3*0.0 6.622919189040e-04 -1.399777057610e-04 -5.790697251230e-04 5.134686540660e-05 -8.155915490070e-04 4.053905205960e-04 -3.642905297010e-04 3*0.0 -3.567921237960e-04 2.085246353200e-04 -1.764390999160e-04 -2.851979135490e-05 8.706141189430e-04 -2.084413598910e-04 3.683008759900e-04
|
||||
3*0.0 6.408199907550e-04 -1.368613203160e-04 -5.507746080450e-04 4.983290715840e-05 -8.031761512600e-04 3.973916334500e-04 -3.600890123290e-04 3*0.0 -3.586896058200e-04 2.064900135860e-04 -1.877108806080e-04 -2.889725851440e-05 8.646477953730e-04 -2.115454495480e-04 3.674264464520e-04
|
||||
3*0.0 6.202697098060e-04 -1.338493928650e-04 -5.235210402230e-04 4.839443864080e-05 -7.910898033150e-04 3.899097315780e-04 -3.560306067550e-04 3*0.0 -3.609794554450e-04 2.044564669240e-04 -1.981117855140e-04 -2.929942837040e-05 8.586491783850e-04 -2.148593740970e-04 3.665489741750e-04
|
||||
3*0.0 6.006103982800e-04 -1.309373224900e-04 -4.972803140040e-04 4.702839495160e-05 -7.793152245850e-04 3.829228080530e-04 -3.521075226400e-04 3*0.0 -3.636322392400e-04 2.024223871960e-04 -2.076735864510e-04 -2.972402955420e-05 8.526105976560e-04 -2.183670124030e-04 3.656646326230e-04
|
||||
3*0.0 5.818120761130e-04 -1.281206798220e-04 -4.720243417120e-04 4.573180998050e-05 -7.678358383600e-04 3.764095146730e-04 -3.483122693540e-04 3*0.0 -3.666196257610e-04 2.003863083940e-04 -2.164272131950e-04 -3.016888921510e-05 8.465249373420e-04 -2.220528308280e-04 3.647698163220e-04
|
||||
3*0.0 5.638454450300e-04 -1.253952016210e-04 -4.477256464150e-04 4.450181450490e-05 -7.566356944760e-04 3.703491448420e-04 -3.446376489240e-04 3*0.0 -3.699143109820e-04 1.983468898500e-04 -2.244027729460e-04 -3.063192983330e-05 8.403856225780e-04 -2.259018682370e-04 3.638611331350e-04
|
||||
3*0.0 5.466819535490e-04 -1.227567900830e-04 -4.243573481260e-04 4.333563268680e-05 -7.456995151060e-04 3.647216203210e-04 -3.410767448000e-04 3*0.0 -3.734900508950e-04 1.963029205790e-04 -2.316295642830e-04 -3.111116635200e-05 8.341865860760e-04 -2.298997202080e-04 3.629353968930e-04
|
||||
3*0.0 5.302936886670e-04 -1.202014986970e-04 -4.018931589130e-04 4.223058037270e-05 -7.350126287050e-04 3.595074755170e-04 -3.376229163370e-04 3*0.0 -3.773215933570e-04 1.942533084180e-04 -2.381360971730e-04 -3.160470268910e-05 8.279222612970e-04 -2.340325245150e-04 3.619896199960e-04
|
||||
3*0.0 5.146534436250e-04 -1.177255432190e-04 -3.803073698780e-04 4.118406181790e-05 -7.245609746210e-04 3.546878430280e-04 -3.342697887440e-04 3*0.0 -3.813846797270e-04 1.921970749600e-04 -2.439501063560e-04 -3.211072921860e-05 8.215875602490e-04 -2.382869462630e-04 3.610210064200e-04
|
||||
3*0.0 4.997346479870e-04 -1.153252800100e-04 -3.595748421790e-04 4.019356760820e-05 -7.143310914170e-04 3.502444403750e-04 -3.310112458590e-04 3*0.0 -3.856559984660e-04 1.901333517500e-04 -2.490985711550e-04 -3.262751951080e-05 8.151778515640e-04 -2.426501639120e-04 3.600269448010e-04
|
||||
3*0.0 4.855114473030e-04 -1.129972165820e-04 -3.396709966200e-04 3.925667226630e-05 -7.043100719640e-04 3.461595547090e-04 -3.278414225470e-04 3*0.0 -3.901131760450e-04 1.880613712680e-04 -2.536077292010e-04 -3.315342773260e-05 8.086889460330e-04 -2.471098551640e-04 3.590050017300e-04
|
||||
3*0.0 4.719585732410e-04 -1.107379919530e-04 -3.205718073370e-04 3.837103195350e-05 -6.944855863080e-04 3.424160306030e-04 -3.247546963590e-04 3*0.0 -3.947347490930e-04 1.859804657150e-04 -2.575030925460e-04 -3.368688598960e-05 8.021170791290e-04 -2.516541831290e-04 3.579529152150e-04
|
||||
3*0.0 4.590514239010e-04 -1.085443932860e-04 -3.022537880490e-04 3.753438199670e-05 -6.848458326380e-04 3.389972557530e-04 -3.217456812270e-04 3*0.0 -3.995001383080e-04 1.838900616280e-04 -2.608094645960e-04 -3.422640144800e-05 7.954588928760e-04 -2.562717832210e-04 3.568685883370e-04
|
||||
3*0.0 4.467660355770e-04 -1.064133247480e-04 -2.846939850390e-04 3.674453463300e-05 -6.753795301350e-04 3.358871478310e-04 -3.188092195280e-04 3*0.0 -4.043896234530e-04 1.817896738670e-04 -2.635509544150e-04 -3.477055394480e-05 7.887114209800e-04 -2.609517498930e-04 3.557500830950e-04
|
||||
3*0.0 4.350790450100e-04 -1.043418298080e-04 -2.678699686150e-04 3.599937721960e-05 -6.660759146220e-04 3.330701420540e-04 -3.159403753230e-04 3*0.0 -4.093843275630e-04 1.796789010140e-04 -2.657509920410e-04 -3.531799342960e-05 7.818720692760e-04 -2.656836238640e-04 3.545956143900e-04
|
||||
3*0.0 4.239676911160e-04 -1.023270619240e-04 -2.517598217840e-04 3.529686967520e-05 -6.569247233870e-04 3.305311784980e-04 -3.131344267670e-04 3*0.0 -4.144661899260e-04 1.775574211950e-04 -2.674323435710e-04 -3.586743753070e-05 7.749386032020e-04 -2.704573794990e-04 3.534035441690e-04
|
||||
3*0.0 4.134098323700e-04 -1.003663069960e-04 -2.363421326060e-04 3.463504260240e-05 -6.479161578240e-04 3.282556894310e-04 -3.103868608150e-04 3*0.0 -4.196179388080e-04 1.754249884290e-04 -2.686171260150e-04 -3.641766921560e-05 7.679091343740e-04 -2.752634127510e-04 3.521723757960e-04
|
||||
3*0.0 4.033839044350e-04 -9.845695592630e-05 -2.215959860630e-04 3.401199532280e-05 -6.390408915700e-04 3.262295869220e-04 -3.076933653700e-04 3*0.0 -4.248230847790e-04 1.732814286530e-04 -2.693268208400e-04 -3.696753450150e-05 7.607820984460e-04 -2.800925288650e-04 3.509007484640e-04
|
||||
3*0.0 3.938689233360e-04 -9.659651645410e-05 -2.075009529410e-04 3.342589380610e-05 -6.302900373930e-04 3.244392515170e-04 -3.050498240890e-04 3*0.0 -4.300658791690e-04 1.711266347530e-04 -2.695822894760e-04 -3.751594020930e-05 7.535562489860e-04 -2.849359309790e-04 3.495874319090e-04
|
||||
3*0.0 3.848444776940e-04 -9.478260375910e-05 -1.940370833240e-04 3.287496882150e-05 -6.216551665940e-04 3.228715203870e-04 -3.024523085240e-04 3*0.0 -4.353313149970e-04 1.689605634070e-04 -2.694037858130e-04 -3.806185182270e-05 7.462306378480e-04 -2.897852083010e-04 3.482313211710e-04
|
||||
3*0.0 3.762907010500e-04 -9.301293645110e-05 -1.811848962390e-04 3.235751388760e-05 -6.131282500770e-04 3.215136755200e-04 -2.998970740020e-04 3*0.0 -4.406050806950e-04 1.667832307470e-04 -2.688109716560e-04 -3.860429137470e-05 7.388046054450e-04 -2.946323253620e-04 3.468314315340e-04
|
||||
3*0.0 3.681883234260e-04 -9.128533854360e-05 -1.689253729690e-04 3.187188386710e-05 -6.047016778730e-04 3.203534325980e-04 -2.973805520780e-04 3*0.0 -4.458735658200e-04 1.645947118940e-04 -2.678229281140e-04 -3.914233543860e-05 7.312777637230e-04 -2.994696105230e-04 3.453868936100e-04
|
||||
3*0.0 3.605184908640e-04 -8.959770953870e-05 -1.572399450320e-04 3.141649242990e-05 -5.963682492190e-04 3.193789309410e-04 -2.948993460320e-04 3*0.0 -4.511238293440e-04 1.623951330600e-04 -2.664581710260e-04 -3.967511308430e-05 7.236499834260e-04 -3.042897456270e-04 3.438969485630e-04
|
||||
3*0.0 3.532630456570e-04 -8.794807235710e-05 -1.461104930520e-04 3.098981162940e-05 -5.881211053240e-04 3.185787200220e-04 -2.924502243390e-04 3*0.0 -4.563435721540e-04 1.601846667060e-04 -2.647346613480e-04 -4.020180416460e-05 7.159213864610e-04 -3.090857553930e-04 3.423609435100e-04
|
||||
3*0.0 3.464042388230e-04 -8.633453120810e-05 -1.355193286080e-04 3.059036834940e-05 -5.799538148970e-04 3.179417531430e-04 -2.900301158800e-04 3*0.0 -4.615211159430e-04 1.579635321490e-04 -2.626698211000e-04 -4.072163713840e-05 7.080923307610e-04 -3.138509972910e-04 3.407783270010e-04
|
||||
3*0.0 3.399248610890e-04 -8.475527319690e-05 -1.254491941570e-04 3.021674428960e-05 -5.718602463770e-04 3.174573721890e-04 -2.876361037840e-04 3*0.0 -4.666454191360e-04 1.557320057230e-04 -2.602805439770e-04 -4.123388738100e-05 7.001633953940e-04 -3.185791514130e-04 3.391486446560e-04
|
||||
3*0.0 3.338082820930e-04 -8.320858382250e-05 -1.158832543200e-04 2.986757395010e-05 -5.638346619600e-04 3.171153018420e-04 -2.852654212930e-04 3*0.0 -4.717060451300e-04 1.534903927870e-04 -2.575832060390e-04 -4.173787588980e-05 6.921353715650e-04 -3.232642107340e-04 3.374715349200e-04
|
||||
3*0.0 3.280381734810e-04 -8.169279737440e-05 -1.068050797460e-04 2.954154223830e-05 -5.558716213900e-04 3.169056365890e-04 -2.829154457630e-04 3*0.0 -4.766930681670e-04 1.512390302320e-04 -2.545936835230e-04 -4.223296655310e-05 6.840092542060e-04 -3.279004717400e-04 3.357467250090e-04
|
||||
3*0.0 3.225988635370e-04 -8.020636262950e-05 -9.819865013770e-05 2.923738364940e-05 -5.479660600830e-04 3.168188331670e-04 -2.805836944420e-04 3*0.0 -4.815971952530e-04 1.489783065040e-04 -2.513273573470e-04 -4.271856559590e-05 6.757862276710e-04 -3.324825248540e-04 3.339740268670e-04
|
||||
3*0.0 3.174750460160e-04 -7.874777657040e-05 -9.004834072780e-05 2.895388139960e-05 -5.401131256330e-04 3.168456977840e-04 -2.782678192090e-04 3*0.0 -4.864096048990e-04 1.467086232260e-04 -2.477991307290e-04 -4.319411939440e-05 6.674676582030e-04 -3.370052455850e-04 3.321533333480e-04
|
||||
3*0.0 3.126519969750e-04 -7.731564341240e-05 -8.233891617450e-05 2.868986436490e-05 -5.323083866910e-04 3.169773816630e-04 -2.759656020440e-04 3*0.0 -4.911220641980e-04 1.444304329400e-04 -2.440234371800e-04 -4.365911297290e-05 6.590550770330e-04 -3.414637854280e-04 3.302846144350e-04
|
||||
3*0.0 3.081153352560e-04 -7.590859678950e-05 -7.505552136050e-05 2.844420726290e-05 -5.245476155070e-04 3.172053671230e-04 -2.736749504510e-04 3*0.0 -4.957268086010e-04 1.421442019760e-04 -2.400142541610e-04 -4.411306861930e-05 6.505501789670e-04 -3.458535634680e-04 3.283679136590e-04
|
||||
3*0.0 3.038511893730e-04 -7.452538819860e-05 -6.818367598140e-05 2.821582805670e-05 -5.168268928740e-04 3.175214617390e-04 -2.713938934020e-04 3*0.0 -5.002165647650e-04 1.398504267500e-04 -2.357851115440e-04 -4.455554437770e-05 6.419548107270e-04 -3.501702576120e-04 3.264033445410e-04
|
||||
3*0.0 2.998460431920e-04 -7.316477606600e-05 -6.170926505930e-05 2.800368736470e-05 -5.091425893740e-04 3.179177881040e-04 -2.691205761820e-04 3*0.0 -5.045845528000e-04 1.375496273530e-04 -2.313491045440e-04 -4.498613268900e-05 6.332709556570e-04 -3.544097965640e-04 3.243910872280e-04
|
||||
3*0.0 2.960869289070e-04 -7.182563772150e-05 -5.561853582790e-05 2.780678703030e-05 -5.014912902570e-04 3.183867753910e-04 -2.668532572470e-04 3*0.0 -5.088244155750e-04 1.352423399510e-04 -2.267189038920e-04 -4.540445890840e-05 6.245007375790e-04 -3.585683516710e-04 3.223313851470e-04
|
||||
3*0.0 2.925611754640e-04 -7.050687236400e-05 -4.989808474850e-05 2.762416833300e-05 -4.938698592400e-04 3.189211513130e-04 -2.645903033810e-04 3*0.0 -5.129302747660e-04 1.329291231480e-04 -2.219067653580e-04 -4.581018008180e-05 6.156463961750e-04 -3.626423290710e-04 3.202245418570e-04
|
||||
3*0.0 2.892566328480e-04 -6.920745009920e-05 -4.453485692610e-05 2.745491181570e-05 -4.862753978250e-04 3.195139338410e-04 -2.623301858650e-04 3*0.0 -5.168966851870e-04 1.306105616980e-04 -2.169245409090e-04 -4.620298361770e-05 6.067102885930e-04 -3.666283619900e-04 3.180709179320e-04
|
||||
3*0.0 2.861614350550e-04 -6.792639343780e-05 -3.951613268590e-05 2.729813478970e-05 -4.787052365860e-04 3.201584231910e-04 -2.600714768470e-04 3*0.0 -5.207185618260e-04 1.282872346490e-04 -2.117836887920e-04 -4.658258607060e-05 5.976948839780e-04 -3.705233034110e-04 3.158709279760e-04
|
||||
3*0.0 2.832642450080e-04 -6.666280496970e-05 -3.482952667620e-05 2.715299110540e-05 -4.711569191510e-04 3.208481932130e-04 -2.578128456960e-04 3*0.0 -5.243912873910e-04 1.259597575260e-04 -2.064952820910e-04 -4.694873191230e-05 5.886027446820e-04 -3.743242185210e-04 3.136250377350e-04
|
||||
3*0.0 2.805539667480e-04 -6.541579710780e-05 -3.046297625510e-05 2.701866965410e-05 -4.636282138630e-04 3.215770848640e-04 -2.555530545960e-04 3*0.0 -5.279105685270e-04 1.236287381790e-04 -2.010700207870e-04 -4.730119228930e-05 5.794365293400e-04 -3.780283778770e-04 3.113337612740e-04
|
||||
3*0.0 2.780199370350e-04 -6.418456431640e-05 -2.640473713840e-05 2.689439308230e-05 -4.561170841110e-04 3.223391977770e-04 -2.532909559930e-04 3*0.0 -5.312725359820e-04 1.212948121830e-04 -1.955182379670e-04 -4.763976420230e-05 5.701989795700e-04 -3.816332502690e-04 3.089976583100e-04
|
||||
3*0.0 2.756519262800e-04 -6.296832955300e-05 -2.264338007080e-05 2.677941734550e-05 -4.486216915080e-04 3.231288832350e-04 -2.510254886430e-04 3*0.0 -5.344736437040e-04 1.189586116290e-04 -1.898499122350e-04 -4.796426895510e-05 5.608929168950e-04 -3.851364959990e-04 3.066173315530e-04
|
||||
3*0.0 2.734399876640e-04 -6.176638041520e-05 -1.916777728670e-05 2.667302977440e-05 -4.411403835480e-04 3.239407370270e-04 -2.487556739870e-04 3*0.0 -5.375107123930e-04 1.166207813280e-04 -1.840746747610e-04 -4.827455140130e-05 5.515212302900e-04 -3.885359603850e-04 3.041934241970e-04
|
||||
3*0.0 2.713745049050e-04 -6.057802922090e-05 -1.596710092060e-05 2.657454865090e-05 -4.336717102880e-04 3.247695924190e-04 -2.464806134450e-04 3*0.0 -5.403808698110e-04 1.142819686680e-04 -1.782018187710e-04 -4.857047890460e-05 5.420868789880e-04 -3.918296672080e-04 3.017266174720e-04
|
||||
3*0.0 2.694463047600e-04 -5.940265103310e-05 -1.303081802630e-05 2.648332223630e-05 -4.262143486150e-04 3.256105123370e-04 -2.441994850890e-04 3*0.0 -5.430815938830e-04 1.119428299290e-04 -1.722403084820e-04 -4.885194026700e-05 5.325928746920e-04 -3.950158124990e-04 2.992176282800e-04
|
||||
3*0.0 2.676463935910e-04 -5.823962997080e-05 -1.034867853440e-05 2.639872725890e-05 -4.187671780120e-04 3.264587843590e-04 -2.419115403250e-04 3*0.0 -5.456106446100e-04 1.096040209390e-04 -1.661987876280e-04 -4.911884473500e-05 5.230422859500e-04 -3.980927585000e-04 2.966672069240e-04
|
||||
3*0.0 2.659662723120e-04 -5.708842279570e-05 -7.910716637340e-06 2.632016872250e-05 -4.113292275760e-04 3.273099129230e-04 -2.396161011780e-04 3*0.0 -5.479661067850e-04 1.072662030910e-04 -1.600855872350e-04 -4.937112124120e-05 5.134382209380e-04 -4.010590276460e-04 2.940761348840e-04
|
||||
3*0.0 2.643976291300e-04 -5.594851000450e-05 -5.707238571140e-06 2.624707818970e-05 -4.038996658930e-04 3.281596127380e-04 -2.373125573340e-04 3*0.0 -5.501463069410e-04 1.049300323510e-04 -1.539087342720e-04 -4.960871732030e-05 5.037838408810e-04 -4.039132967680e-04 2.914452227220e-04
|
||||
3*0.0 2.629325538650e-04 -5.481939841390e-05 -3.728821012760e-06 2.617891355480e-05 -3.964778161110e-04 3.290038034610e-04 -2.350003631500e-04 3*0.0 -5.521498870580e-04 1.025961722180e-04 -1.476759600230e-04 -4.983159831420e-05 4.940823304030e-04 -4.066543915580e-04 2.887753080050e-04
|
||||
3*0.0 2.615633596820e-04 -5.370064226430e-05 -1.966301879790e-06 2.611515782360e-05 -3.890631290360e-04 3.298386026690e-04 -2.326790352560e-04 3*0.0 -5.539757362130e-04 1.002652833270e-04 -1.413947074080e-04 -5.003974660420e-05 4.843369078400e-04 -4.092812809350e-04 2.860672533500e-04
|
||||
3*0.0 2.602827212640e-04 -5.259182609840e-05 -4.107779287630e-07 2.605531828260e-05 -3.816551920780e-04 3.306603200110e-04 -2.303481496420e-04 3*0.0 -5.556229890870e-04 9.793802078850e-05 -1.350721382330e-04 -5.023316070310e-05 4.745508211970e-04 -4.117930718500e-04 2.833219445040e-04
|
||||
3*0.0 2.590835743610e-04 -5.149255938950e-05 9.464022637370e-07 2.599892591370e-05 -3.742537075300e-04 3.314654517800e-04 -2.280073391400e-04 3*0.0 -5.570910239460e-04 9.561503901610e-05 -1.287151420680e-04 -5.041185448880e-05 4.647273352640e-04 -4.141890039520e-04 2.805402885040e-04
|
||||
3*0.0 2.579591433690e-04 -5.040248967070e-05 2.113645040710e-06 2.594553415440e-05 -3.668585181860e-04 3.322506752680e-04 -2.256562910400e-04 3*0.0 -5.583794543400e-04 9.329698831480e-05 -1.223303423260e-04 -5.057585654280e-05 4.548697295890e-04 -4.164684446280e-04 2.777232119300e-04
|
||||
3*0.0 2.569028943900e-04 -4.932127479690e-05 3.099115829580e-06 2.589471856120e-05 -3.594695501850e-04 3.330128418630e-04 -2.232947445280e-04 3*0.0 -5.594881216470e-04 9.098451653740e-05 -1.159241042030e-04 -5.072520924700e-05 4.449812979100e-04 -4.186308840030e-04 2.748716591710e-04
|
||||
3*0.0 2.559086054330e-04 -4.824861838710e-05 3.910742844690e-06 2.584607597900e-05 -3.520868512400e-04 3.337489733770e-04 -2.209224884180e-04 3*0.0 -5.604170637480e-04 8.867826371730e-05 -1.095025414820e-04 -5.085996825360e-05 4.350653385560e-04 -4.206759302080e-04 2.719865908150e-04
|
||||
3*0.0 2.549702795230e-04 -4.718424692730e-05 4.556226527780e-06 2.579922331780e-05 -3.447105695730e-04 3.344562553930e-04 -2.185393589000e-04 3*0.0 -5.611665246130e-04 8.637886108950e-05 -1.030715230180e-04 -5.098020168980e-05 4.251251591100e-04 -4.226033046540e-04 2.690689820250e-04
|
||||
3*0.0 2.540822135710e-04 -4.612790737720e-05 5.043039779020e-06 2.575379762010e-05 -3.373409423460e-04 3.351320327050e-04 -2.161452373000e-04 3*0.0 -5.617369466560e-04 8.408693968700e-05 -9.663668066170e-05 -5.108598955640e-05 4.151640588890e-04 -4.244128375730e-04 2.661198210860e-04
|
||||
3*0.0 2.532388937900e-04 -4.507936742690e-05 5.378437312380e-06 2.570945478980e-05 -3.299782970150e-04 3.357738039210e-04 -2.137400479590e-04 3*0.0 -5.621289580610e-04 8.180311949490e-05 -9.020341468860e-05 -5.117742304100e-05 4.051853371940e-04 -4.261044635070e-04 2.631401078770e-04
|
||||
3*0.0 2.524351108260e-04 -4.403841726700e-05 5.569456832800e-06 2.566586911460e-05 -3.226230604580e-04 3.363792170490e-04 -2.113237561350e-04 3*0.0 -5.623433608620e-04 7.952801174840e-05 -8.377690043170e-05 -5.125460400810e-05 3.951922854630e-04 -4.276782171280e-04 2.601308525130e-04
|
||||
3*0.0 2.516658143360e-04 -4.300487286310e-05 5.622928016740e-06 2.562273253750e-05 -3.152757070580e-04 3.369460632450e-04 -2.088963660540e-04 3*0.0 -5.623811155250e-04 7.726221974040e-05 -7.736209554670e-05 -5.131764424510e-05 3.851881824760e-04 -4.291342289770e-04 2.570930739800e-04
|
||||
3*0.0 2.509262479250e-04 -4.197856725600e-05 5.545472988840e-06 2.557975421610e-05 -3.079368202590e-04 3.374722741580e-04 -2.064579189750e-04 3*0.0 -5.622433505600e-04 7.500633753820e-05 -7.096374477660e-05 -5.136666509830e-05 3.751762945520e-04 -4.304727214540e-04 2.540277988380e-04
|
||||
3*0.0 2.502118369980e-04 -4.095935255570e-05 5.343514303400e-06 2.553665967540e-05 -3.006070334370e-04 3.379559157520e-04 -2.040084911920e-04 3*0.0 -5.619313449800e-04 7.276095237870e-05 -6.458638715320e-05 -5.140179671740e-05 3.651598696360e-04 -4.316940049120e-04 2.509360599880e-04
|
||||
3*0.0 2.495182393520e-04 -3.994709628780e-05 5.023277698010e-06 2.549319035070e-05 -2.932870518930e-04 3.383951841780e-04 -2.015481924520e-04 3*0.0 -5.614465136730e-04 7.052663587090e-05 -5.823436135010e-05 -5.142317768990e-05 3.551421359910e-04 -4.327984737580e-04 2.478188954790e-04
|
||||
3*0.0 2.488413125280e-04 -3.894168607680e-05 4.590798112830e-06 2.544910279770e-05 -2.859776445490e-04 3.387884017750e-04 -1.990771638760e-04 3*0.0 -5.607904241060e-04 6.830395577410e-05 -5.191181144640e-05 -5.143095440770e-05 3.451262969870e-04 -4.337866027750e-04 2.446773473470e-04
|
||||
3*0.0 2.481771079890e-04 -3.794302632760e-05 4.051922992490e-06 2.540416852840e-05 -2.786796285170e-04 3.391340122090e-04 -1.965955766240e-04 3*0.0 -5.599647564900e-04 6.609346494710e-05 -4.562269264980e-05 -5.142528068620e-05 3.351155332090e-04 -4.346589435150e-04 2.415124605520e-04
|
||||
3*0.0 2.475219047580e-04 -3.695103199670e-05 3.412316462220e-06 2.535817304010e-05 -2.713938852200e-04 3.394305769360e-04 -1.941036299310e-04 3*0.0 -5.589713198000e-04 6.389570572550e-05 -3.937077689070e-05 -5.140631720710e-05 3.251129948880e-04 -4.354161207860e-04 2.383252819030e-04
|
||||
3*0.0 2.468721165020e-04 -3.596562891140e-05 2.677465887590e-06 2.531091545030e-05 -2.641213413500e-04 3.396767706700e-04 -1.916015497400e-04 3*0.0 -5.578120350360e-04 6.171120924210e-05 -3.315965836000e-05 -5.137423109400e-05 3.151218028200e-04 -4.360588292620e-04 2.351168590710e-04
|
||||
3*0.0 2.462244091040e-04 -3.498677465990e-05 1.852682553930e-06 2.526220813550e-05 -2.568629602070e-04 3.398713774060e-04 -1.890895870260e-04 3*0.0 -5.564889399220e-04 5.954049621590e-05 -2.699275799400e-05 -5.132919547430e-05 3.051450438050e-04 -4.365878301140e-04 2.318882396190e-04
|
||||
3*0.0 2.455755696260e-04 -3.401441403070e-05 9.431090277670e-07 2.521187595220e-05 -2.496197624730e-04 3.400132869140e-04 -1.865680163650e-04 3*0.0 -5.550041568560e-04 5.738407191930e-05 -2.087332967080e-05 -5.127138906800e-05 2.951857729080e-04 -4.370039479080e-04 2.286404700890e-04
|
||||
3*0.0 2.449226057420e-04 -3.304852208340e-05 -4.627892060480e-08 2.515975595140e-05 -2.423927951980e-04 3.401014907310e-04 -1.840371345470e-04 3*0.0 -5.533599211680e-04 5.524243292100e-05 -1.480446451130e-05 -5.120099574340e-05 2.852470052100e-04 -4.373080674070e-04 2.253745951300e-04
|
||||
3*0.0 2.442626448750e-04 -3.208907324260e-05 -1.110666372100e-06 2.510569671440e-05 -2.351831435540e-04 3.401350784380e-04 -1.814972591010e-04 3*0.0 -5.515585500100e-04 5.311606311970e-05 -8.789095934710e-06 -5.111820416090e-05 2.753317185660e-04 -4.375011305820e-04 2.220916566530e-04
|
||||
3*0.0 2.435930342110e-04 -3.113606511220e-05 -2.245397585650e-06 2.504955825130e-05 -2.279919258140e-04 3.401132342830e-04 -1.789487269930e-04 3*0.0 -5.496024500730e-04 5.100543081640e-05 -2.830004628310e-06 -5.102320740050e-05 2.654428487120e-04 -4.375841336880e-04 2.187926930450e-04
|
||||
3*0.0 2.429112314450e-04 -3.018948835050e-05 -3.445970325960e-06 2.499121109040e-05 -2.208202874850e-04 3.400352335310e-04 -1.763918934110e-04 3*0.0 -5.474940939240e-04 4.891099327930e-05 3.070177131710e-06 -5.091620256410e-05 2.555832933350e-04 -4.375581244080e-04 2.154787383940e-04
|
||||
3*0.0 2.422148652190e-04 -2.924935627040e-05 -4.708032629300e-06 2.493053620940e-05 -2.136693993370e-04 3.399004391650e-04 -1.738271303830e-04 3*0.0 -5.452360426390e-04 4.683319737090e-05 8.908960494580e-06 -5.079739048980e-05 2.457559027710e-04 -4.374241991430e-04 2.121508217840e-04
|
||||
3*0.0 2.415017190280e-04 -2.831568375380e-05 -6.027379727430e-06 2.486742448140e-05 -2.065404552270e-04 3.397082985990e-04 -1.712548256740e-04 3*0.0 -5.428309092110e-04 4.477247180190e-05 1.468399582040e-05 -5.066697532940e-05 2.359634841910e-04 -4.371835002600e-04 2.088099665930e-04
|
||||
3*0.0 2.407697055570e-04 -2.738849500200e-05 -7.399949083470e-06 2.480177620280e-05 -1.994346676020e-04 3.394583403310e-04 -1.686753816160e-04 3*0.0 -5.402813857340e-04 4.272923829950e-05 2.039306837840e-05 -5.052516432560e-05 2.262087969650e-04 -4.368372136210e-04 2.054571898430e-04
|
||||
3*0.0 2.400168920180e-04 -2.646782091550e-05 -8.821818369220e-06 2.473350086180e-05 -1.923532668760e-04 3.391501710200e-04 -1.660892139380e-04 3*0.0 -5.375902071250e-04 4.070389841020e-05 2.603409405290e-05 -5.037216743740e-05 2.164945544290e-04 -4.363865659170e-04 2.020935015740e-04
|
||||
3*0.0 2.392414692600e-04 -2.555369906750e-05 -1.028920076320e-05 2.466251665100e-05 -1.852974973110e-04 3.387834722730e-04 -1.634967507980e-04 3*0.0 -5.347601704520e-04 3.869684618340e-05 3.160511511680e-05 -5.020819707800e-05 2.068234198390e-04 -4.358328224430e-04 1.987199042690e-04
|
||||
3*0.0 2.384417523570e-04 -2.464617134440e-05 -1.179844204100e-05 2.458875011530e-05 -1.782686144290e-04 3.383579977010e-04 -1.608984316240e-04 3*0.0 -5.317941109030e-04 3.670845899070e-05 3.710429648110e-05 -5.003346781660e-05 1.971980094150e-04 -4.351772845770e-04 1.953373922810e-04
|
||||
3*0.0 2.376162009500e-04 -2.374528909430e-05 -1.334601735770e-05 2.451213583960e-05 -1.712678839820e-04 3.378735701920e-04 -1.582947061840e-04 3*0.0 -5.286949185580e-04 3.473910235300e-05 4.252992123580e-05 -4.984819611890e-05 1.876208853950e-04 -4.344212875890e-04 1.919469513120e-04
|
||||
3*0.0 2.367633683940e-04 -2.285110261930e-05 -1.492852697980e-05 2.443261602150e-05 -1.642965800260e-04 3.373300789580e-04 -1.556860336530e-04 3*0.0 -5.254655190380e-04 3.278912871200e-05 4.788038715630e-05 -4.965260007500e-05 1.780945587320e-04 -4.335661984180e-04 1.885495579100e-04
|
||||
3*0.0 2.358819544660e-04 -2.196367305650e-05 -1.654269485530e-05 2.435014020840e-05 -1.573559786930e-04 3.367274767350e-04 -1.530728816340e-04 3*0.0 -5.221088683420e-04 3.085887478040e-05 5.315420338390e-05 -4.944689917020e-05 1.686214908840e-04 -4.326134135320e-04 1.851461790050e-04
|
||||
3*0.0 2.349707440810e-04 -2.108306164400e-05 -1.818536319190e-05 2.426466494830e-05 -1.504473604820e-04 3.360657773840e-04 -1.504557252870e-04 3*0.0 -5.186279605110e-04 2.894866786550e-05 5.834998557200e-05 -4.923131402300e-05 1.592040864120e-04 -4.315643568820e-04 1.817377714640e-04
|
||||
3*0.0 2.340286541620e-04 -2.020933369850e-05 -1.985349172100e-05 2.417615351760e-05 -1.435720094340e-04 3.353450531310e-04 -1.478350465200e-04 3*0.0 -5.150258114490e-04 2.705881802350e-05 6.346645381650e-05 -4.900606618830e-05 1.498446995480e-04 -4.304204779150e-04 1.783252816640e-04
|
||||
3*0.0 2.330546870650e-04 -1.934255782300e-05 -2.154415246620e-05 2.408457552600e-05 -1.367312043980e-04 3.345654320830e-04 -1.452113330810e-04 3*0.0 -5.113054673030e-04 2.518962557170e-05 6.850242775070e-05 -4.877137789500e-05 1.405456264710e-04 -4.291832496280e-04 1.749096451110e-04
|
||||
3*0.0 2.320479475320e-04 -1.848280554380e-05 -2.325452808160e-05 2.398990670650e-05 -1.299262212220e-04 3.337270957030e-04 -1.425850778890e-04 3*0.0 -5.074699829720e-04 2.334137364580e-05 7.345682430500e-05 -4.852747189470e-05 1.313091121070e-04 -4.278541666860e-04 1.714917860650e-04
|
||||
3*0.0 2.310076597880e-04 -1.763015334510e-05 -2.498190903630e-05 2.389212861680e-05 -1.231583353170e-04 3.328302768120e-04 -1.399567781630e-04 3*0.0 -5.035224457370e-04 2.151433637660e-05 7.832865384750e-05 -4.827457122440e-05 1.221373430950e-04 -4.264347436830e-04 1.680726172060e-04
|
||||
3*0.0 2.299331078890e-04 -1.678467281790e-05 -2.672368964200e-05 2.379122834220e-05 -1.164288139710e-04 3.318752568380e-04 -1.373269347810e-04 3*0.0 -4.994659417380e-04 1.970877180190e-05 8.311701693540e-05 -4.801289901210e-05 1.130324527940e-04 -4.249265133590e-04 1.646530393000e-04
|
||||
3*0.0 2.288236869780e-04 -1.594644423870e-05 -2.847736628530e-05 2.368719824850e-05 -1.097389128420e-04 3.308623637500e-04 -1.346960515840e-04 3*0.0 -4.953035769230e-04 1.792492619640e-05 8.782110153130e-05 -4.774267833860e-05 1.039965168270e-04 -4.233310249070e-04 1.612339409140e-04
|
||||
3*0.0 2.276788709680e-04 -1.511554614200e-05 -3.024053429620e-05 2.358003572050e-05 -1.030898831440e-04 3.297919700150e-04 -1.320646346070e-04 3*0.0 -4.910384590630e-04 1.616303400370e-05 9.244017938930e-05 -4.746413200820e-05 9.503155493680e-05 -4.216498424070e-04 1.578161981260e-04
|
||||
3*0.0 2.264982232160e-04 -1.429205996770e-05 -3.201088529850e-05 2.346974289990e-05 -9.648296364750e-05 3.286644903660e-04 -1.294331916170e-04 3*0.0 -4.866737052050e-04 1.442331512610e-05 9.697360395680e-05 -4.717748245190e-05 8.613953075050e-05 -4.198845431910e-04 1.544006742800e-04
|
||||
3*0.0 2.252813706280e-04 -1.347606348350e-05 -3.378620434620e-05 2.335632646690e-05 -8.991938147610e-05 3.274803797710e-04 -1.268022313530e-04 3*0.0 -4.822124278660e-04 1.270597692100e-05 1.014208064180e-04 -4.688295147820e-05 7.732235166300e-05 -4.180367164110e-04 1.509882197400e-04
|
||||
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102
tests/DFTB/nonscc/pp
Normal file
102
tests/DFTB/nonscc/pp
Normal file
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@ -0,0 +1,102 @@
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0.10 100
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0.00000 0.00000 0.00000 0.00000 0.00000 0.00033 -0.00004 0.00000 -0.00024 -0.00020 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00017 0.00011 0.00000 0.00060 0.00046
|
||||
0.00000 0.00000 0.00000 0.00000 0.00000 0.00027 -0.00003 0.00000 -0.00022 -0.00018 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00019 0.00011 0.00000 0.00060 0.00042
|
||||
0.00000 0.00000 0.00000 0.00000 0.00000 0.00022 -0.00003 0.00000 -0.00021 -0.00017 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00022 0.00011 0.00000 0.00060 0.00039
|
||||
0.00000 0.00000 0.00000 0.00000 0.00000 0.00019 -0.00003 0.00000 -0.00020 -0.00015 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00025 0.00011 0.00000 0.00059 0.00036
|
||||
0.00000 0.00000 0.00000 0.00000 0.00000 0.00016 -0.00003 0.00000 -0.00019 -0.00014 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00028 0.00010 0.00000 0.00059 0.00032
|
||||
141
tests/DFTB/nonscc/scc
Normal file
141
tests/DFTB/nonscc/scc
Normal file
|
|
@ -0,0 +1,141 @@
|
|||
0.1, 140,
|
||||
0.0, 0.0181496899, -0.0043674204, 0.0089203080, 0.0003271330, 0.0006152344, 3*0.0, 5.24, 5.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -0.33035822 -0.30000077 0.0 -0.08873286 0.14315329 5*0.0 -0.19041386 -0.15992191 0.0 -0.10346807 0.27708418
|
||||
5*0.0 -0.24022028 -0.29779006 0.0 -0.02213567 -0.01598347 5*0.0 -0.21646099 -0.16854607 0.0 -0.13068297 0.29212912
|
||||
5*0.0 -0.11896304 -0.27835067 0.0 0.06485191 -0.11995154 5*0.0 -0.24625046 -0.17897693 0.0 -0.15692070 0.30599419
|
||||
5*0.0 0.01070710 -0.24630604 0.0 0.15407368 -0.17453775 5*0.0 -0.27760699 -0.19082201 0.0 -0.18082435 0.31798280
|
||||
5*0.0 0.13235699 -0.20643009 0.0 0.23295126 -0.19455544 5*0.0 -0.30830324 -0.20360663 0.0 -0.20111678 0.32804867
|
||||
5*0.0 0.23607202 -0.16282986 0.0 0.29460147 -0.19463303 5*0.0 -0.33631639 -0.21682912 0.0 -0.21677188 0.33651069
|
||||
5*0.0 0.31718071 -0.11868666 0.0 0.33650845 -0.18593599 5*0.0 -0.35997824 -0.23000306 0.0 -0.22709546 0.34382086
|
||||
5*0.0 0.37477575 -0.07626950 0.0 0.35916912 -0.17574872 5*0.0 -0.37804085 -0.24268613 0.0 -0.23173907 0.35041235
|
||||
5*0.0 0.41027720 -0.03705837 0.0 0.36477206 -0.16810713 5*0.0 -0.38968311 -0.25449732 0.0 -0.23067154 0.35661860
|
||||
5*0.0 0.42640869 -0.00191333 0.0 0.35631211 -0.16473492 5*0.0 -0.39448027 -0.26512524 0.0 -0.22412810 0.36264357
|
||||
5*0.0 0.42644500 0.02876815 0.0 0.33698000 -0.16588083 5*0.0 -0.39235287 -0.27432978 0.0 -0.21255080 0.36856425
|
||||
5*0.0 0.41372809 0.05491780 0.0 0.30979604 -0.17096340 5*0.0 -0.38350680 -0.28193945 0.0 -0.19652919 0.37435071
|
||||
5*0.0 0.39138323 0.07668775 0.0 0.27742226 -0.17901889 5*0.0 -0.36837215 -0.28784578 0.0 -0.17674621 0.37989354
|
||||
5*0.0 0.36217303 0.09436757 0.0 0.24208447 -0.18898395 5*0.0 -0.34754553 -0.29199632 0.0 -0.15393185 0.38503221
|
||||
5*0.0 0.32843340 0.10832469 0.0 0.20556322 -0.19985899 5*0.0 -0.32173850 -0.29438682 0.0 -0.12882547 0.38958092
|
||||
5*0.0 0.29207672 0.11896049 0.0 0.16922891 -0.21079152 5*0.0 -0.29173305 -0.29505340 0.0 -0.10214646 0.39334979
|
||||
5*0.0 0.25461735 0.12668171 0.0 0.13408964 -0.22110540 5*0.0 -0.25834455 -0.29406505 0.0 -0.07457258 0.39616125
|
||||
5*0.0 0.21722132 0.13188140 0.0 0.10085364 -0.23030250 5*0.0 -0.22239156 -0.29151663 0.0 -0.04672481 0.39786148
|
||||
5*0.0 0.18075650 0.13492686 0.0 0.06998479 -0.23804537 5*0.0 -0.18467186 -0.28752253 0.0 -0.01915777 0.39832762
|
||||
5*0.0 0.14584732 0.13615405 0.0 0.04175615 -0.24413272 5*0.0 -0.14594401 -0.28221119 0.0 0.00764558 0.39747149
|
||||
5*0.0 0.11292066 0.13586454 0.0 0.01629461 -0.24847358 5*0.0 -0.10691353 -0.27572015 0.0 0.03327577 0.39524051
|
||||
5*0.0 0.08225011 0.13432551 0.0 -0.00637985 -0.25106184 5*0.0 -0.06822297 -0.26819194 0.0 0.05739605 0.39161662
|
||||
5*0.0 0.05399019 0.13177127 0.0 -0.02632457 -0.25195406 5*0.0 -0.03044537 -0.25977056 0.0 0.07973972 0.38661371
|
||||
5*0.0 0.02820629 0.12840534 0.0 -0.04364995 -0.25125061 5*0.0 0.00591960 -0.25059856 0.0 0.10010606 0.38027419
|
||||
5*0.0 0.00489874 0.12440322 0.0 -0.05850092 -0.24908034 5*0.0 0.04044718 -0.24081460 0.0 0.11835534 0.37266502
|
||||
5*0.0 -0.01598102 0.11991554 0.0 -0.07104312 -0.24558896 5*0.0 0.07278719 -0.23055161 0.0 0.13440318 0.36387344
|
||||
5*0.0 -0.03451372 0.11507038 0.0 -0.08145347 -0.24092968 5*0.0 0.10266203 -0.21993523 0.0 0.14821463 0.35400282
|
||||
5*0.0 -0.05080364 0.10997649 0.0 -0.08991223 -0.23525688 5*0.0 0.12986355 -0.20908272 0.0 0.15979809 0.34316856
|
||||
5*0.0 -0.06497017 0.10472537 0.0 -0.09659819 -0.22872138 5*0.0 0.15424881 -0.19810216 0.0 0.16919918 0.33149431
|
||||
5*0.0 -0.07714199 0.09939380 0.0 -0.10168560 -0.22146731 5*0.0 0.17573507 -0.18709193 0.0 0.17649489 0.31910849
|
||||
5*0.0 -0.08745243 0.09404555 0.0 -0.10534145 -0.21363008 5*0.0 0.19429426 -0.17614045 0.0 0.18178785 0.30614124
|
||||
5*0.0 -0.09603695 0.08873332 0.0 -0.10772425 -0.20533522 5*0.0 0.20994700 -0.16532613 0.0 0.18520101 0.29272168
|
||||
5*0.0 -0.10303033 0.08350014 0.0 -0.10898311 -0.19669780 5*0.0 0.22275652 -0.15471748 0.0 0.18687269 0.27897563
|
||||
5*0.0 -0.10856504 0.07838085 0.0 -0.10925726 -0.18782226 5*0.0 0.23282244 -0.14437341 0.0 0.18695201 0.26502368
|
||||
5*0.0 -0.11276997 0.07340311 0.0 -0.10867597 -0.17880254 5*0.0 0.24027469 -0.13434358 0.0 0.18559476 0.25097963
|
||||
5*0.0 -0.11576968 0.06858854 0.0 -0.10735845 -0.16972242 5*0.0 0.24526761 -0.12466890 0.0 0.18295986 0.23694933
|
||||
5*0.0 -0.11768302 0.06395353 0.0 -0.10541420 -0.16065589 5*0.0 0.24797440 -0.11538208 0.0 0.17920609 0.22302976
|
||||
5*0.0 -0.11862352 0.05951003 0.0 -0.10294313 -0.15166773 5*0.0 0.24858188 -0.10650824 0.0 0.17448948 0.20930842
|
||||
5*0.0 -0.11869826 0.05526625 0.0 -0.10003604 -0.14281401 5*0.0 0.24728572 -0.09806557 0.0 0.16896096 0.19586304
|
||||
5*0.0 -0.11800813 0.05122721 0.0 -0.09677498 -0.13414273 5*0.0 0.24428610 -0.09006592 0.0 0.16276459 0.18276147
|
||||
5*0.0 -0.11664743 0.04739522 0.0 -0.09323371 -0.12569435 5*0.0 0.23978394 -0.08251551 0.0 0.15603608 0.17006171
|
||||
5*0.0 -0.11470418 0.04377042 0.0 -0.08947821 -0.11750241 5*0.0 0.23397755 -0.07541558 0.0 0.14890175 0.15781222
|
||||
5*0.0 -0.11225991 0.04035105 0.0 -0.08556712 -0.10959412 5*0.0 0.22705982 -0.06876299 0.0 0.14147774 0.14605228
|
||||
5*0.0 -0.10938994 0.03713385 0.0 -0.08155234 -0.10199090 5*0.0 0.21921585 -0.06255086 0.0 0.13386957 0.13481250
|
||||
5*0.0 -0.10616361 0.03411432 0.0 -0.07747942 -0.09470896 5*0.0 0.21062113 -0.05676909 0.0 0.12617197 0.12411537
|
||||
5*0.0 -0.10264443 0.03128696 0.0 -0.07338815 -0.08775982 5*0.0 0.20144002 -0.05140496 0.0 0.11846887 0.11397592
|
||||
5*0.0 -0.09889040 0.02864553 0.0 -0.06931296 -0.08115080 5*0.0 0.19182475 -0.04644361 0.0 0.11083363 0.10440239
|
||||
5*0.0 -0.09495426 0.02618316 0.0 -0.06528345 -0.07488557 5*0.0 0.18191469 -0.04186847 0.0 0.10332941 0.09539690
|
||||
5*0.0 -0.09088377 0.02389255 0.0 -0.06132475 -0.06896447 5*0.0 0.17183598 -0.03766168 0.0 0.09600963 0.08695619
|
||||
5*0.0 -0.08672204 0.02176611 0.0 -0.05745803 -0.06338511 5*0.0 0.16170142 -0.03380450 0.0 0.08891859 0.07907228
|
||||
5*0.0 -0.08250772 0.01979604 0.0 -0.05370078 -0.05814263 5*0.0 0.15161060 -0.03027759 0.0 0.08209207 0.07173313
|
||||
5*0.0 -0.07827537 0.01797444 0.0 -0.05006726 -0.05323011 5*0.0 0.14165028 -0.02706134 0.0 0.07555805 0.06492331
|
||||
5*0.0 -0.07405566 0.01629341 0.0 -0.04656878 -0.04863893 5*0.0 0.13189480 -0.02413609 0.0 0.06933742 0.05862457
|
||||
5*0.0 -0.06987565 0.01474509 0.0 -0.04321405 -0.04435903 5*0.0 0.12240681 -0.02148236 0.0 0.06344472 0.05281643
|
||||
5*0.0 -0.06575901 0.01332170 0.0 -0.04000944 -0.04037924 5*0.0 0.11323791 -0.01908105 0.0 0.05788880 0.04747668
|
||||
5*0.0 -0.06172627 0.01201566 0.0 -0.03695925 -0.03668749 5*0.0 0.10442951 -0.01691354 0.0 0.05267358 0.04258185
|
||||
5*0.0 -0.05779502 0.01081954 0.0 -0.03406597 -0.03327106 5*0.0 0.09601364 -0.01496185 0.0 0.04779868 0.03810765
|
||||
5*0.0 -0.05398014 0.00972615 0.0 -0.03133050 -0.03011676 5*0.0 0.08801380 -0.01320873 0.0 0.04326008 0.03402932
|
||||
5*0.0 -0.05029394 0.00872853 0.0 -0.02875233 -0.02721113 5*0.0 0.08044589 -0.01163773 0.0 0.03905067 0.03032197
|
||||
5*0.0 -0.04674644 0.00782001 0.0 -0.02632976 -0.02454056 5*0.0 0.07331901 -0.01023323 0.0 0.03516084 0.02696087
|
||||
5*0.0 -0.04334549 0.00699418 0.0 -0.02406004 -0.02209147 5*0.0 0.06663630 -0.00898052 0.0 0.03157894 0.02392169
|
||||
5*0.0 -0.04009698 0.00624491 0.0 -0.02193958 -0.01985040 5*0.0 0.06039579 -0.00786575 0.0 0.02829179 0.02118070
|
||||
5*0.0 -0.03700497 0.00556638 0.0 -0.01996405 -0.01780411 5*0.0 0.05459109 -0.00687600 0.0 0.02528499 0.01871492
|
||||
5*0.0 -0.03407193 0.00495308 0.0 -0.01812851 -0.01593965 5*0.0 0.04921216 -0.00599925 0.0 0.02254338 0.01650226
|
||||
5*0.0 -0.03129882 0.00439977 0.0 -0.01642758 -0.01424448 5*0.0 0.04424590 -0.00522433 0.0 0.02005129 0.01452165
|
||||
5*0.0 -0.02868530 0.00390153 0.0 -0.01485548 -0.01270645 5*0.0 0.03967684 -0.00454095 0.0 0.01779281 0.01275308
|
||||
5*0.0 -0.02622986 0.00345372 0.0 -0.01340616 -0.01131391 5*0.0 0.03548757 -0.00393963 0.0 0.01575206 0.01117763
|
||||
5*0.0 -0.02392995 0.00305202 0.0 -0.01207342 -0.01005572 5*0.0 0.03165932 -0.00341169 0.0 0.01391333 0.00977756
|
||||
5*0.0 -0.02178215 0.00269236 0.0 -0.01085092 -0.00892125 5*0.0 0.02817237 -0.00294919 0.0 0.01226129 0.00853626
|
||||
5*0.0 -0.01978227 0.00237096 0.0 -0.00973231 -0.00790045 5*0.0 0.02500640 -0.00254490 0.0 0.01078109 0.00743830
|
||||
5*0.0 -0.01792548 0.00208430 0.0 -0.00871124 -0.00698381 5*0.0 0.02214085 -0.00219228 0.0 0.00945844 0.00646936
|
||||
5*0.0 -0.01620644 0.00182911 0.0 -0.00778146 -0.00616237 5*0.0 0.01955518 -0.00188537 0.0 0.00827975 0.00561622
|
||||
5*0.0 -0.01461938 0.00160238 0.0 -0.00693683 -0.00542775 5*0.0 0.01722913 -0.00161884 0.0 0.00723213 0.00486674
|
||||
5*0.0 -0.01315823 0.00140133 0.0 -0.00617136 -0.00477210 5*0.0 0.01514289 -0.00138786 0.0 0.00630342 0.00420979
|
||||
5*0.0 -0.01181667 0.00122339 0.0 -0.00547928 -0.00418812 5*0.0 0.01327730 -0.00118811 0.0 0.00548225 0.00363521
|
||||
5*0.0 -0.01058826 0.00106622 0.0 -0.00485501 -0.00366902 5*0.0 0.01161392 -0.00101573 0.0 0.00475804 0.00313377
|
||||
5*0.0 -0.00946648 0.00092766 0.0 -0.00429323 -0.00320853 5*0.0 0.01013516 -0.00086729 0.0 0.00412095 0.00269711
|
||||
5*0.0 -0.00844481 0.00080574 0.0 -0.00378883 -0.00280085 5*0.0 0.00882437 -0.00073971 0.0 0.00356191 0.00231765
|
||||
5*0.0 -0.00751678 0.00069868 0.0 -0.00333702 -0.00244065 5*0.0 0.00766582 -0.00063029 0.0 0.00307261 0.00198859
|
||||
5*0.0 -0.00667605 0.00060485 0.0 -0.00293324 -0.00212305 5*0.0 0.00664481 -0.00053662 0.0 0.00264540 0.00170381
|
||||
5*0.0 -0.00591639 0.00052277 0.0 -0.00257320 -0.00184355 5*0.0 0.00574760 -0.00045658 0.0 0.00227333 0.00145785
|
||||
5*0.0 -0.00523180 0.00045111 0.0 -0.00225291 -0.00159808 5*0.0 0.00496147 -0.00038832 0.0 0.00195010 0.00124583
|
||||
5*0.0 -0.00461645 0.00038867 0.0 -0.00196862 -0.00138293 5*0.0 0.00427466 -0.00033019 0.0 0.00166997 0.00106339
|
||||
5*0.0 -0.00406480 0.00033437 0.0 -0.00171686 -0.00119472 5*0.0 0.00367636 -0.00028078 0.0 0.00142781 0.00090670
|
||||
5*0.0 -0.00357154 0.00028724 0.0 -0.00149442 -0.00103040 5*0.0 0.00315668 -0.00023884 0.0 0.00121898 0.00077234
|
||||
5*0.0 -0.00313163 0.00024640 0.0 -0.00129833 -0.00088722 5*0.0 0.00270658 -0.00020328 0.0 0.00103934 0.00065731
|
||||
5*0.0 -0.00274032 0.00021108 0.0 -0.00112585 -0.00076269 5*0.0 0.00231790 -0.00017316 0.0 0.00088517 0.00055898
|
||||
5*0.0 -0.00239315 0.00018060 0.0 -0.00097449 -0.00065461 5*0.0 0.00198321 -0.00014767 0.0 0.00075319 0.00047502
|
||||
5*0.0 -0.00208593 0.00015432 0.0 -0.00084196 -0.00056096 5*0.0 0.00169584 -0.00012611 0.0 0.00064047 0.00040343
|
||||
5*0.0 -0.00181478 0.00013172 0.0 -0.00072618 -0.00047998 5*0.0 0.00144981 -0.00010787 0.0 0.00054444 0.00034243
|
||||
5*0.0 -0.00157608 0.00011231 0.0 -0.00062526 -0.00041007 5*0.0 0.00123975 -0.00009245 0.0 0.00046280 0.00029048
|
||||
5*0.0 -0.00136649 0.00009567 0.0 -0.00053748 -0.00034982 5*0.0 0.00106089 -0.00007939 0.0 0.00039357 0.00024628
|
||||
5*0.0 -0.00118294 0.00008141 0.0 -0.00046131 -0.00029799 5*0.0 0.00090899 -0.00006833 0.0 0.00033498 0.00020866
|
||||
5*0.0 -0.00102260 0.00006923 0.0 -0.00039536 -0.00025348 5*0.0 0.00078031 -0.00005893 0.0 0.00028550 0.00017664
|
||||
5*0.0 -0.00088289 0.00005881 0.0 -0.00033838 -0.00021530 5*0.0 0.00067154 -0.00005094 0.0 0.00024380 0.00014938
|
||||
5*0.0 -0.00076147 0.00004993 0.0 -0.00028925 -0.00018261 5*0.0 0.00057979 -0.00004412 0.0 0.00020872 0.00012613
|
||||
5*0.0 -0.00065620 0.00004235 0.0 -0.00024699 -0.00015465 5*0.0 0.00050253 -0.00003828 0.0 0.00017926 0.00010629
|
||||
5*0.0 -0.00056516 0.00003590 0.0 -0.00021070 -0.00013077 5*0.0 0.00043754 -0.00003326 0.0 0.00015456 0.00008933
|
||||
5*0.0 -0.00048661 0.00003040 0.0 -0.00017962 -0.00011038 5*0.0 0.00038291 -0.00002891 0.0 0.00013386 0.00007479
|
||||
5*0.0 -0.00041899 0.00002572 0.0 -0.00015304 -0.00009300 5*0.0 0.00033700 -0.00002515 0.0 0.00011653 0.00006230
|
||||
5*0.0 -0.00036091 0.00002173 0.0 -0.00013036 -0.00007819 5*0.0 0.00029838 -0.00002185 0.0 0.00010203 0.00005154
|
||||
5*0.0 -0.00031111 0.00001833 0.0 -0.00011103 -0.00006557 5*0.0 0.00026582 -0.00001896 0.0 0.00008989 0.00004224
|
||||
5*0.0 -0.00026850 0.00001543 0.0 -0.00009460 -0.00005482 5*0.0 0.00023830 -0.00001641 0.0 0.00007972 0.00003417
|
||||
5*0.0 -0.00023210 0.00001295 0.0 -0.00008064 -0.00004566 5*0.0 0.00021493 -0.00001414 0.0 0.00007119 0.00002714
|
||||
5*0.0 -0.00020105 0.00001083 0.0 -0.00006880 -0.00003786 5*0.0 0.00019498 -0.00001212 0.0 0.00006401 0.00002100
|
||||
5*0.0 -0.00017457 0.00000901 0.0 -0.00005877 -0.00003121 5*0.0 0.00017782 -0.00001030 0.0 0.00005794 0.00001561
|
||||
5*0.0 -0.00015202 0.00000744 0.0 -0.00005029 -0.00002553 5*0.0 0.00016292 -0.00000866 0.0 0.00005280 0.00001087
|
||||
5*0.0 -0.00013280 0.00000610 0.0 -0.00004311 -0.00002067 5*0.0 0.00014987 -0.00000717 0.0 0.00004842 0.00000668
|
||||
5*0.0 -0.00011643 0.00000493 0.0 -0.00003704 -0.00001651 5*0.0 0.00013830 -0.00000582 0.0 0.00004465 0.00000297
|
||||
5*0.0 -0.00010245 0.00000392 0.0 -0.00003190 -0.00001294 5*0.0 0.00012793 -0.00000459 0.0 0.00004140 -0.00000032
|
||||
5*0.0 -0.00009050 0.00000304 0.0 -0.00002756 -0.00000987 5*0.0 0.00011853 -0.00000347 0.0 0.00003855 -0.00000324
|
||||
5*0.0 -0.00008025 0.00000227 0.0 -0.00002388 -0.00000722 5*0.0 0.00010991 -0.00000245 0.0 0.00003605 -0.00000584
|
||||
5*0.0 -0.00007142 0.00000160 0.0 -0.00002076 -0.00000494 5*0.0 0.00010191 -0.00000152 0.0 0.00003383 -0.00000815
|
||||
5*0.0 -0.00006379 0.00000101 0.0 -0.00001810 -0.00000296 5*0.0 0.00009443 -0.00000066 0.0 0.00003183 -0.00001020
|
||||
5*0.0 -0.00005715 0.00000049 0.0 -0.00001584 -0.00000124 5*0.0 0.00008738 0.00000011 0.0 0.00003002 -0.00001202
|
||||
5*0.0 -0.00005134 0.00000003 0.0 -0.00001390 0.00000026 5*0.0 0.00008068 0.00000082 0.0 0.00002836 -0.00001362
|
||||
5*0.0 -0.00004621 -0.00000038 0.0 -0.00001224 0.00000156 5*0.0 0.00007429 0.00000146 0.0 0.00002684 -0.00001504
|
||||
5*0.0 -0.00004165 -0.00000074 0.0 -0.00001080 0.00000270 5*0.0 0.00006816 0.00000203 0.0 0.00002542 -0.00001627
|
||||
5*0.0 -0.00003757 -0.00000105 0.0 -0.00000956 0.00000369 5*0.0 0.00006229 0.00000255 0.0 0.00002409 -0.00001734
|
||||
5*0.0 -0.00003388 -0.00000134 0.0 -0.00000847 0.00000456 5*0.0 0.00005664 0.00000301 0.0 0.00002284 -0.00001826
|
||||
5*0.0 -0.00003053 -0.00000159 0.0 -0.00000752 0.00000532 5*0.0 0.00005122 0.00000342 0.0 0.00002166 -0.00001903
|
||||
5*0.0 -0.00002744 -0.00000180 0.0 -0.00000668 0.00000597 5*0.0 0.00004601 0.00000378 0.0 0.00002054 -0.00001968
|
||||
5*0.0 -0.00002460 -0.00000200 0.0 -0.00000594 0.00000655 5*0.0 0.00004101 0.00000410 0.0 0.00001948 -0.00002020
|
||||
5*0.0 -0.00002195 -0.00000216 0.0 -0.00000527 0.00000704 5*0.0 0.00003622 0.00000437 0.0 0.00001847 -0.00002061
|
||||
5*0.0 -0.00001948 -0.00000231 0.0 -0.00000468 0.00000746 5*0.0 0.00003164 0.00000460 0.0 0.00001750 -0.00002091
|
||||
5*0.0 -0.00001717 -0.00000243 0.0 -0.00000414 0.00000782 5*0.0 0.00002728 0.00000479 0.0 0.00001658 -0.00002112
|
||||
5*0.0 -0.00001499 -0.00000254 0.0 -0.00000366 0.00000812 5*0.0 0.00002314 0.00000495 0.0 0.00001570 -0.00002124
|
||||
5*0.0 -0.00001294 -0.00000262 0.0 -0.00000322 0.00000837 5*0.0 0.00001922 0.00000508 0.0 0.00001486 -0.00002127
|
||||
5*0.0 -0.00001100 -0.00000270 0.0 -0.00000282 0.00000857 5*0.0 0.00001552 0.00000517 0.0 0.00001406 -0.00002123
|
||||
5*0.0 -0.00000918 -0.00000275 0.0 -0.00000246 0.00000872 5*0.0 0.00001204 0.00000523 0.0 0.00001330 -0.00002112
|
||||
5*0.0 -0.00000746 -0.00000279 0.0 -0.00000213 0.00000883 5*0.0 0.00000878 0.00000527 0.0 0.00001257 -0.00002094
|
||||
5*0.0 -0.00000583 -0.00000282 0.0 -0.00000182 0.00000890 5*0.0 0.00000575 0.00000529 0.0 0.00001188 -0.00002071
|
||||
5*0.0 -0.00000431 -0.00000284 0.0 -0.00000155 0.00000894 5*0.0 0.00000292 0.00000528 0.0 0.00001122 -0.00002043
|
||||
5*0.0 -0.00000287 -0.00000284 0.0 -0.00000130 0.00000895 5*0.0 0.00000032 0.00000525 0.0 0.00001060 -0.00002010
|
||||
5*0.0 -0.00000153 -0.00000284 0.0 -0.00000106 0.00000893 5*0.0 -0.00000208 0.00000521 0.0 0.00001000 -0.00001973
|
||||
5*0.0 -0.00000028 -0.00000282 0.0 -0.00000086 0.00000888 5*0.0 -0.00000428 0.00000515 0.0 0.00000944 -0.00001933
|
||||
141
tests/DFTB/nonscc/scn
Normal file
141
tests/DFTB/nonscc/scn
Normal file
|
|
@ -0,0 +1,141 @@
|
|||
0.1, 140,
|
||||
0.0, 0.0252298721, 0.0705981352, -0.0101181398, 0.0245559054, -0.0026172938, 3*0.0, 4.31, 5.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 0.44991826 0.36976225 0.0 0.18130808 0.25333503 5*0.0 0.12044577 0.08567679 0.0 0.09713114 0.16861474
|
||||
5*0.0 0.33464706 0.37531353 0.0 0.09446405 0.07287767 5*0.0 0.15141451 0.09562525 0.0 0.12539079 0.18702391
|
||||
5*0.0 0.17569364 0.35564122 0.0 -0.02235118 -0.04218800 5*0.0 0.18726875 0.10786177 0.0 0.15350966 0.20451817
|
||||
5*0.0 0.00642978 0.31780571 0.0 -0.14221073 -0.10199951 5*0.0 0.22527508 0.12191161 0.0 0.17971750 0.22039926
|
||||
5*0.0 -0.15003149 0.26888608 0.0 -0.24719090 -0.12589179 5*0.0 0.26266270 0.13718887 0.0 0.20235228 0.23467821
|
||||
5*0.0 -0.28054024 0.21481271 0.0 -0.32799340 -0.13133364 5*0.0 0.29696772 0.15307483 0.0 0.22009670 0.24771656
|
||||
5*0.0 -0.37965776 0.16005290 0.0 -0.38183983 -0.13062783 5*0.0 0.32621931 0.16897556 0.0 0.23207946 0.25995846
|
||||
5*0.0 -0.44713087 0.10768895 0.0 -0.41003451 -0.13098912 5*0.0 0.34900680 0.18435921 0.0 0.23788152 0.27177336
|
||||
5*0.0 -0.48579288 0.05965713 0.0 -0.41612493 -0.13575289 5*0.0 0.36446760 0.19877679 0.0 0.23748590 0.28338704
|
||||
5*0.0 -0.49999490 0.01701182 0.0 -0.40455263 -0.14571645 5*0.0 0.37222863 0.21187041 0.0 0.23120028 0.29487080
|
||||
5*0.0 -0.49457264 -0.01982611 0.0 -0.37982027 -0.16023706 5*0.0 0.37232519 0.22337288 0.0 0.21957214 0.30616282
|
||||
5*0.0 -0.47421159 -0.05086773 0.0 -0.34602555 -0.17800733 5*0.0 0.36511344 0.23310180 0.0 0.20330835 0.31710351
|
||||
5*0.0 -0.44310405 -0.07640090 0.0 -0.30664189 -0.19754464 5*0.0 0.35118662 0.24095044 0.0 0.18320545 0.32747339
|
||||
5*0.0 -0.40480720 -0.09687280 0.0 -0.26446208 -0.21746736 5*0.0 0.33130043 0.24687722 0.0 0.16009299 0.33702732
|
||||
5*0.0 -0.36220930 -0.11281112 0.0 -0.22162993 -0.23662698 5*0.0 0.30630997 0.25089478 0.0 0.13479009 0.34552226
|
||||
5*0.0 -0.31757709 -0.12476752 0.0 -0.17971843 -0.25415100 5*0.0 0.27711858 0.25305959 0.0 0.10807401 0.35273770
|
||||
5*0.0 -0.27262923 -0.13328273 0.0 -0.13982422 -0.26943531 5*0.0 0.24463767 0.25346235 0.0 0.08065885 0.35848926
|
||||
5*0.0 -0.22862515 -0.13886482 0.0 -0.10266237 -0.28211141 5*0.0 0.20975611 0.25221942 0.0 0.05318247 0.36263650
|
||||
5*0.0 -0.18645088 -0.14197812 0.0 -0.06865381 -0.29200384 5*0.0 0.17331770 0.24946549 0.0 0.02619973 0.36508587
|
||||
5*0.0 -0.14669915 -0.14303797 0.0 -0.03799936 -0.29908681 5*0.0 0.13610510 0.24534722 0.0 0.00018051 0.36579037
|
||||
5*0.0 -0.10973742 -0.14241035 0.0 -0.01074019 -0.30344466 5*0.0 0.09882906 0.24001795 0.0 -0.02448892 0.36474654
|
||||
5*0.0 -0.07576510 -0.14041383 0.0 0.01319224 -0.30523829 5*0.0 0.06212177 0.23363339 0.0 -0.04750209 0.36198996
|
||||
5*0.0 -0.04485842 -0.13732313 0.0 0.03394103 -0.30467780 5*0.0 0.02653344 0.22634801 0.0 -0.06862696 0.35758981
|
||||
5*0.0 -0.01700598 -0.13337339 0.0 0.05169480 -0.30200134 5*0.0 -0.00746845 0.21831227 0.0 -0.08769958 0.35164309
|
||||
5*0.0 0.00786434 -0.12876458 0.0 0.06666844 -0.29745917 5*0.0 -0.03949792 0.20967035 0.0 -0.10461719 0.34426875
|
||||
5*0.0 0.02986586 -0.12366584 0.0 0.07908846 -0.29130219 5*0.0 -0.06924761 0.20055849 0.0 -0.11933112 0.33560216
|
||||
5*0.0 0.04913834 -0.11821955 0.0 0.08918364 -0.28377399 5*0.0 -0.09648467 0.19110376 0.0 -0.13183959 0.32578994
|
||||
5*0.0 0.06583774 -0.11254486 0.0 0.09717852 -0.27510556 5*0.0 -0.12104566 0.18142321 0.0 -0.14218088 0.31498535
|
||||
5*0.0 0.08012937 -0.10674104 0.0 0.10328919 -0.26551215 5*0.0 -0.14283079 0.17162336 0.0 -0.15042659 0.30334423
|
||||
5*0.0 0.09218231 -0.10089025 0.0 0.10772100 -0.25519154 5*0.0 -0.16179769 0.16179994 0.0 -0.15667540 0.29102152
|
||||
5*0.0 0.10216631 -0.09505995 0.0 0.11066713 -0.24432333 5*0.0 -0.17795483 0.15203792 0.0 -0.16104729 0.27816835
|
||||
5*0.0 0.11024923 -0.08930511 0.0 0.11230790 -0.23306901 5*0.0 -0.19135490 0.14241165 0.0 -0.16367817 0.26492965
|
||||
5*0.0 0.11659528 -0.08366997 0.0 0.11281062 -0.22157240 5*0.0 -0.20208823 0.13298524 0.0 -0.16471510 0.25144227
|
||||
5*0.0 0.12136378 -0.07818957 0.0 0.11232967 -0.20996048 5*0.0 -0.21027636 0.12381297 0.0 -0.16431200 0.23783356
|
||||
5*0.0 0.12470825 -0.07289120 0.0 0.11100679 -0.19834428 5*0.0 -0.21606587 0.11493988 0.0 -0.16262588 0.22422032
|
||||
5*0.0 0.12677544 -0.06779547 0.0 0.10897152 -0.18681995 5*0.0 -0.21962266 0.10640237 0.0 -0.15981363 0.21070818
|
||||
5*0.0 0.12770503 -0.06291735 0.0 0.10634159 -0.17546985 5*0.0 -0.22112652 0.09822887 0.0 -0.15602928 0.19739121
|
||||
5*0.0 0.12762907 -0.05826703 0.0 0.10322354 -0.16436356 5*0.0 -0.22076634 0.09044051 0.0 -0.15142169 0.18435184
|
||||
5*0.0 0.12667169 -0.05385070 0.0 0.09971322 -0.15355902 5*0.0 -0.21873571 0.08305188 0.0 -0.14613281 0.17166104
|
||||
5*0.0 0.12494894 -0.04967117 0.0 0.09589639 -0.14310353 5*0.0 -0.21522908 0.07607166 0.0 -0.14029621 0.15937859
|
||||
5*0.0 0.12256870 -0.04572843 0.0 0.09184936 -0.13303474 5*0.0 -0.21043846 0.06950338 0.0 -0.13403605 0.14755362
|
||||
5*0.0 0.11963070 -0.04202019 0.0 0.08763956 -0.12338164 5*0.0 -0.20455062 0.06334601 0.0 -0.12746639 0.13622519
|
||||
5*0.0 0.11622668 -0.03854227 0.0 0.08332622 -0.11416545 5*0.0 -0.19774476 0.05759464 0.0 -0.12069078 0.12542298
|
||||
5*0.0 0.11244050 -0.03528899 0.0 0.07896094 -0.10540053 5*0.0 -0.19019069 0.05224106 0.0 -0.11380207 0.11516802
|
||||
5*0.0 0.10834848 -0.03225345 0.0 0.07458834 -0.09709514 5*0.0 -0.18204738 0.04727434 0.0 -0.10688251 0.10547352
|
||||
5*0.0 0.10401966 -0.02942784 0.0 0.07024663 -0.08925228 5*0.0 -0.17346200 0.04268128 0.0 -0.10000396 0.09634565
|
||||
5*0.0 0.09951615 -0.02680369 0.0 0.06596822 -0.08187035 5*0.0 -0.16456920 0.03844693 0.0 -0.09322827 0.08778434
|
||||
5*0.0 0.09489354 -0.02437199 0.0 0.06178023 -0.07494387 5*0.0 -0.15549079 0.03455502 0.0 -0.08660780 0.07978409
|
||||
5*0.0 0.09020124 -0.02212347 0.0 0.05770505 -0.06846404 5*0.0 -0.14633565 0.03098828 0.0 -0.08018601 0.07233475
|
||||
5*0.0 0.08548293 -0.02004864 0.0 0.05376082 -0.06241935 5*0.0 -0.13719985 0.02772883 0.0 -0.07399807 0.06542219
|
||||
5*0.0 0.08077691 -0.01813797 0.0 0.04996189 -0.05679605 5*0.0 -0.12816705 0.02475845 0.0 -0.06807159 0.05902904
|
||||
5*0.0 0.07611652 -0.01638198 0.0 0.04631922 -0.05157863 5*0.0 -0.11930897 0.02205883 0.0 -0.06242730 0.05313533
|
||||
5*0.0 0.07153051 -0.01477130 0.0 0.04284084 -0.04675021 5*0.0 -0.11068601 0.01961178 0.0 -0.05707978 0.04771903
|
||||
5*0.0 0.06704342 -0.01329675 0.0 0.03953217 -0.04229293 5*0.0 -0.10234797 0.01739944 0.0 -0.05203814 0.04275661
|
||||
5*0.0 0.06267591 -0.01194941 0.0 0.03639634 -0.03818825 5*0.0 -0.09433484 0.01540440 0.0 -0.04730673 0.03822352
|
||||
5*0.0 0.05844509 -0.01072063 0.0 0.03343452 -0.03441724 5*0.0 -0.08667760 0.01360983 0.0 -0.04288574 0.03409460
|
||||
5*0.0 0.05436487 -0.00960209 0.0 0.03064621 -0.03096080 5*0.0 -0.07939912 0.01199957 0.0 -0.03877187 0.03034446
|
||||
5*0.0 0.05044623 -0.00858580 0.0 0.02802945 -0.02779991 5*0.0 -0.07251491 0.01055820 0.0 -0.03495888 0.02694778
|
||||
5*0.0 0.04669750 -0.00766413 0.0 0.02558105 -0.02491574 5*0.0 -0.06603404 0.00927112 0.0 -0.03143809 0.02387959
|
||||
5*0.0 0.04312464 -0.00682984 0.0 0.02329684 -0.02228986 5*0.0 -0.05995990 0.00812455 0.0 -0.02819889 0.02111551
|
||||
5*0.0 0.03973148 -0.00607605 0.0 0.02117181 -0.01990433 5*0.0 -0.05429099 0.00710554 0.0 -0.02522918 0.01863191
|
||||
5*0.0 0.03651996 -0.00539625 0.0 0.01920026 -0.01774180 5*0.0 -0.04902162 0.00620202 0.0 -0.02251575 0.01640606
|
||||
5*0.0 0.03349034 -0.00478434 0.0 0.01737602 -0.01578559 5*0.0 -0.04414262 0.00540275 0.0 -0.02004458 0.01441628
|
||||
5*0.0 0.03064139 -0.00423456 0.0 0.01569248 -0.01401971 5*0.0 -0.03964194 0.00469731 0.0 -0.01780121 0.01264195
|
||||
5*0.0 0.02797063 -0.00374153 0.0 0.01414278 -0.01242898 5*0.0 -0.03550527 0.00407612 0.0 -0.01577095 0.01106365
|
||||
5*0.0 0.02547446 -0.00330023 0.0 0.01271988 -0.01099900 5*0.0 -0.03171649 0.00353034 0.0 -0.01393911 0.00966313
|
||||
5*0.0 0.02314836 -0.00290598 0.0 0.01141667 -0.00971615 5*0.0 -0.02825819 0.00305190 0.0 -0.01229118 0.00842333
|
||||
5*0.0 0.02098701 -0.00255443 0.0 0.01022602 -0.00856766 5*0.0 -0.02511206 0.00263342 0.0 -0.01081299 0.00732841
|
||||
5*0.0 0.01898447 -0.00224155 0.0 0.00914083 -0.00754155 5*0.0 -0.02225925 0.00226821 0.0 -0.00949082 0.00636369
|
||||
5*0.0 0.01713426 -0.00196363 0.0 0.00815417 -0.00662663 5*0.0 -0.01968066 0.00195018 0.0 -0.00831152 0.00551567
|
||||
5*0.0 0.01542955 -0.00171723 0.0 0.00725922 -0.00581251 5*0.0 -0.01735727 0.00167385 0.0 -0.00726252 0.00477192
|
||||
5*0.0 0.01386320 -0.00149919 0.0 0.00644940 -0.00508953 5*0.0 -0.01527030 0.00143426 0.0 -0.00633195 0.00412109
|
||||
5*0.0 0.01242789 -0.00130664 0.0 0.00571832 -0.00444878 5*0.0 -0.01340140 0.00122699 0.0 -0.00550865 0.00355284
|
||||
5*0.0 0.01111622 -0.00113692 0.0 0.00505990 -0.00388204 5*0.0 -0.01173284 0.00104805 0.0 -0.00478218 0.00305779
|
||||
5*0.0 0.00992074 -0.00098761 0.0 0.00446829 -0.00338175 5*0.0 -0.01024759 0.00089390 0.0 -0.00414280 0.00262743
|
||||
5*0.0 0.00883408 -0.00085652 0.0 0.00393795 -0.00294101 5*0.0 -0.00892943 0.00076138 0.0 -0.00358153 0.00225411
|
||||
5*0.0 0.00784897 -0.00074164 0.0 0.00346365 -0.00255348 5*0.0 -0.00776300 0.00064769 0.0 -0.00309008 0.00193096
|
||||
5*0.0 0.00695828 -0.00064118 0.0 0.00304044 -0.00221342 5*0.0 -0.00673384 0.00055034 0.0 -0.00266083 0.00165179
|
||||
5*0.0 0.00615511 -0.00055348 0.0 0.00266371 -0.00191558 5*0.0 -0.00582844 0.00046715 0.0 -0.00228686 0.00141111
|
||||
5*0.0 0.00543278 -0.00047709 0.0 0.00232911 -0.00165522 5*0.0 -0.00503420 0.00039619 0.0 -0.00196185 0.00120403
|
||||
5*0.0 0.00478487 -0.00041066 0.0 0.00203263 -0.00142807 5*0.0 -0.00433948 0.00033577 0.0 -0.00168006 0.00102618
|
||||
5*0.0 0.00420526 -0.00035301 0.0 0.00177052 -0.00123026 5*0.0 -0.00373354 0.00028441 0.0 -0.00143634 0.00087371
|
||||
5*0.0 0.00368814 -0.00030307 0.0 0.00153934 -0.00105832 5*0.0 -0.00320653 0.00024083 0.0 -0.00122604 0.00074325
|
||||
5*0.0 0.00322799 -0.00025989 0.0 0.00133591 -0.00090914 5*0.0 -0.00274945 0.00020389 0.0 -0.00104500 0.00063179
|
||||
5*0.0 0.00281964 -0.00022262 0.0 0.00115730 -0.00077993 5*0.0 -0.00235412 0.00017263 0.0 -0.00088951 0.00053671
|
||||
5*0.0 0.00245822 -0.00019051 0.0 0.00100084 -0.00066821 5*0.0 -0.00201313 0.00014621 0.0 -0.00075625 0.00045573
|
||||
5*0.0 0.00213920 -0.00016289 0.0 0.00086409 -0.00057178 5*0.0 -0.00171981 0.00012388 0.0 -0.00064230 0.00038685
|
||||
5*0.0 0.00185837 -0.00013917 0.0 0.00074484 -0.00048868 5*0.0 -0.00146816 0.00010504 0.0 -0.00054507 0.00032832
|
||||
5*0.0 0.00161181 -0.00011883 0.0 0.00064109 -0.00041717 5*0.0 -0.00125279 0.00008914 0.0 -0.00046227 0.00027864
|
||||
5*0.0 0.00139593 -0.00010140 0.0 0.00055101 -0.00035572 5*0.0 -0.00106894 0.00007573 0.0 -0.00039190 0.00023651
|
||||
5*0.0 0.00120741 -0.00008650 0.0 0.00047298 -0.00030299 5*0.0 -0.00091234 0.00006441 0.0 -0.00033221 0.00020079
|
||||
5*0.0 0.00104322 -0.00007376 0.0 0.00040553 -0.00025779 5*0.0 -0.00077925 0.00005484 0.0 -0.00028167 0.00017052
|
||||
5*0.0 0.00090060 -0.00006289 0.0 0.00034734 -0.00021909 5*0.0 -0.00066635 0.00004676 0.0 -0.00023894 0.00014487
|
||||
5*0.0 0.00077704 -0.00005361 0.0 0.00029724 -0.00018598 5*0.0 -0.00057075 0.00003992 0.0 -0.00020288 0.00012313
|
||||
5*0.0 0.00067025 -0.00004569 0.0 0.00025418 -0.00015767 5*0.0 -0.00048990 0.00003411 0.0 -0.00017249 0.00010469
|
||||
5*0.0 0.00057819 -0.00003894 0.0 0.00021726 -0.00013348 5*0.0 -0.00042160 0.00002917 0.0 -0.00014691 0.00008903
|
||||
5*0.0 0.00049901 -0.00003317 0.0 0.00018563 -0.00011282 5*0.0 -0.00036393 0.00002496 0.0 -0.00012540 0.00007572
|
||||
5*0.0 0.00043106 -0.00002825 0.0 0.00015860 -0.00009517 5*0.0 -0.00031525 0.00002136 0.0 -0.00010734 0.00006438
|
||||
5*0.0 0.00037285 -0.00002404 0.0 0.00013551 -0.00008009 5*0.0 -0.00027413 0.00001826 0.0 -0.00009218 0.00005470
|
||||
5*0.0 0.00032309 -0.00002043 0.0 0.00011582 -0.00006720 5*0.0 -0.00023936 0.00001560 0.0 -0.00007946 0.00004642
|
||||
5*0.0 0.00028060 -0.00001734 0.0 0.00009905 -0.00005618 5*0.0 -0.00020990 0.00001329 0.0 -0.00006880 0.00003932
|
||||
5*0.0 0.00024437 -0.00001468 0.0 0.00008476 -0.00004674 5*0.0 -0.00018488 0.00001129 0.0 -0.00005986 0.00003319
|
||||
5*0.0 0.00021348 -0.00001238 0.0 0.00007260 -0.00003864 5*0.0 -0.00016356 0.00000954 0.0 -0.00005237 0.00002790
|
||||
5*0.0 0.00018716 -0.00001040 0.0 0.00006225 -0.00003170 5*0.0 -0.00014531 0.00000801 0.0 -0.00004610 0.00002330
|
||||
5*0.0 0.00016472 -0.00000868 0.0 0.00005343 -0.00002572 5*0.0 -0.00012961 0.00000667 0.0 -0.00004084 0.00001929
|
||||
5*0.0 0.00014555 -0.00000718 0.0 0.00004592 -0.00002057 5*0.0 -0.00011603 0.00000548 0.0 -0.00003642 0.00001578
|
||||
5*0.0 0.00012915 -0.00000586 0.0 0.00003950 -0.00001613 5*0.0 -0.00010421 0.00000443 0.0 -0.00003272 0.00001269
|
||||
5*0.0 0.00011507 -0.00000471 0.0 0.00003401 -0.00001229 5*0.0 -0.00009386 0.00000350 0.0 -0.00002961 0.00000995
|
||||
5*0.0 0.00010293 -0.00000370 0.0 0.00002931 -0.00000896 5*0.0 -0.00008473 0.00000267 0.0 -0.00002700 0.00000752
|
||||
5*0.0 0.00009242 -0.00000280 0.0 0.00002527 -0.00000607 5*0.0 -0.00007664 0.00000193 0.0 -0.00002481 0.00000535
|
||||
5*0.0 0.00008325 -0.00000201 0.0 0.00002179 -0.00000355 5*0.0 -0.00006941 0.00000128 0.0 -0.00002296 0.00000340
|
||||
5*0.0 0.00007520 -0.00000130 0.0 0.00001878 -0.00000137 5*0.0 -0.00006293 0.00000069 0.0 -0.00002140 0.00000164
|
||||
5*0.0 0.00006807 -0.00000067 0.0 0.00001616 0.00000054 5*0.0 -0.00005708 0.00000017 0.0 -0.00002008 0.00000005
|
||||
5*0.0 0.00006171 -0.00000011 0.0 0.00001388 0.00000219 5*0.0 -0.00005179 -0.00000030 0.0 -0.00001896 -0.00000139
|
||||
5*0.0 0.00005599 0.00000039 0.0 0.00001189 0.00000364 5*0.0 -0.00004698 -0.00000071 0.0 -0.00001801 -0.00000271
|
||||
5*0.0 0.00005079 0.00000083 0.0 0.00001013 0.00000489 5*0.0 -0.00004261 -0.00000108 0.0 -0.00001720 -0.00000392
|
||||
5*0.0 0.00004604 0.00000123 0.0 0.00000859 0.00000598 5*0.0 -0.00003863 -0.00000141 0.0 -0.00001650 -0.00000503
|
||||
5*0.0 0.00004165 0.00000158 0.0 0.00000722 0.00000692 5*0.0 -0.00003500 -0.00000171 0.0 -0.00001589 -0.00000605
|
||||
5*0.0 0.00003757 0.00000189 0.0 0.00000600 0.00000772 5*0.0 -0.00003170 -0.00000196 0.0 -0.00001535 -0.00000700
|
||||
5*0.0 0.00003377 0.00000216 0.0 0.00000492 0.00000841 5*0.0 -0.00002870 -0.00000219 0.0 -0.00001488 -0.00000787
|
||||
5*0.0 0.00003020 0.00000240 0.0 0.00000396 0.00000900 5*0.0 -0.00002598 -0.00000240 0.0 -0.00001444 -0.00000868
|
||||
5*0.0 0.00002684 0.00000261 0.0 0.00000310 0.00000948 5*0.0 -0.00002352 -0.00000258 0.0 -0.00001404 -0.00000943
|
||||
5*0.0 0.00002367 0.00000279 0.0 0.00000234 0.00000989 5*0.0 -0.00002130 -0.00000273 0.0 -0.00001367 -0.00001013
|
||||
5*0.0 0.00002067 0.00000295 0.0 0.00000165 0.00001021 5*0.0 -0.00001931 -0.00000287 0.0 -0.00001330 -0.00001078
|
||||
5*0.0 0.00001784 0.00000307 0.0 0.00000104 0.00001046 5*0.0 -0.00001752 -0.00000299 0.0 -0.00001294 -0.00001138
|
||||
5*0.0 0.00001517 0.00000318 0.0 0.00000050 0.00001065 5*0.0 -0.00001594 -0.00000310 0.0 -0.00001258 -0.00001194
|
||||
5*0.0 0.00001265 0.00000326 0.0 0.00000002 0.00001078 5*0.0 -0.00001453 -0.00000319 0.0 -0.00001221 -0.00001246
|
||||
5*0.0 0.00001027 0.00000332 0.0 -0.00000040 0.00001086 5*0.0 -0.00001330 -0.00000327 0.0 -0.00001183 -0.00001295
|
||||
5*0.0 0.00000804 0.00000337 0.0 -0.00000077 0.00001089 5*0.0 -0.00001221 -0.00000335 0.0 -0.00001144 -0.00001340
|
||||
5*0.0 0.00000595 0.00000339 0.0 -0.00000109 0.00001088 5*0.0 -0.00001127 -0.00000341 0.0 -0.00001102 -0.00001381
|
||||
5*0.0 0.00000400 0.00000341 0.0 -0.00000136 0.00001084 5*0.0 -0.00001045 -0.00000346 0.0 -0.00001058 -0.00001419
|
||||
5*0.0 0.00000218 0.00000340 0.0 -0.00000160 0.00001075 5*0.0 -0.00000974 -0.00000351 0.0 -0.00001012 -0.00001454
|
||||
5*0.0 0.00000051 0.00000339 0.0 -0.00000180 0.00001064 5*0.0 -0.00000913 -0.00000356 0.0 -0.00000963 -0.00001486
|
||||
5*0.0 -0.00000104 0.00000336 0.0 -0.00000196 0.00001050 5*0.0 -0.00000861 -0.00000360 0.0 -0.00000911 -0.00001515
|
||||
5*0.0 -0.00000245 0.00000332 0.0 -0.00000209 0.00001034 5*0.0 -0.00000815 -0.00000363 0.0 -0.00000857 -0.00001541
|
||||
5*0.0 -0.00000374 0.00000328 0.0 -0.00000220 0.00001016 5*0.0 -0.00000776 -0.00000366 0.0 -0.00000800 -0.00001565
|
||||
202
tests/DFTB/nonscc/scsc
Normal file
202
tests/DFTB/nonscc/scsc
Normal file
|
|
@ -0,0 +1,202 @@
|
|||
0.1, 200,
|
||||
-0.1309, -0.0562, -0.1563, 0.0 0.0 0.0 0.0 1.0 0.0 2.0 T F
|
||||
44.96, -0.0015530826, 0.0207874247, -0.0199609716, 0.0078990499, -0.0013520569, 0.0000868957, 2*0.0, 9.00, 6.0, 1.0, 0.0, 2.0, 6*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
-1.54153203 -1.61620198 -2.64364771 0.38925951 0.06203516 -0.03338042 -0.47249489 0.35318614 0.21175779 -0.60486098 0.76442447 0.79506033 0.92782653 -0.07870952 -0.06884148 0.91091893 0.96507199 -0.00244783 -0.12179957 0.95380267
|
||||
-1.09062469 -1.07177651 -2.38276435 0.53559756 0.21259011 -0.09113539 -0.39004742 0.42085352 0.15201113 -0.49692557 0.66538134 0.70102827 0.89201020 -0.08983999 -0.08450780 0.87743875 0.95094632 0.00320494 -0.14672354 0.93390982
|
||||
-0.75060255 -0.59798835 -2.12365704 0.58391143 0.34104145 -0.13984733 -0.34474064 0.40843707 0.09535848 -0.40555761 0.56609118 0.60119399 0.85190653 -0.09167409 -0.09686360 0.84039789 0.93566215 0.01463004 -0.16993968 0.91264907
|
||||
-0.51483643 -0.20916693 -1.87689651 0.54737541 0.43377991 -0.14810170 -0.31657730 0.33255658 0.06864461 -0.34507349 0.47170378 0.50014041 0.80886346 -0.08333283 -0.10488646 0.79942986 0.91917278 0.03179072 -0.19219370 0.89089670
|
||||
-0.36488205 0.09463906 -1.64858734 0.45228157 0.48857681 -0.11858763 -0.29399643 0.21871870 0.07131252 -0.31283157 0.38553320 0.40142090 0.76406362 -0.06533671 -0.10803274 0.75491164 0.90145530 0.05369930 -0.21366587 0.86905893
|
||||
-0.27927395 0.32121112 -1.44164217 0.32559162 0.50945206 -0.06644899 -0.27173337 0.09076501 0.09202139 -0.29913132 0.30938053 0.30760955 0.71850350 -0.03918804 -0.10620234 0.70781363 0.88257439 0.07880293 -0.23408438 0.84716591
|
||||
-0.23816905 0.48184461 -1.25682642 0.18938337 0.50311353 -0.00752576 -0.24826504 -0.03335274 0.11869715 -0.29378302 0.24391097 0.22043074 0.67299466 -0.00693411 -0.09964851 0.65939513 0.86268295 0.10534440 -0.25296204 0.82505761
|
||||
-0.22535941 0.58867360 -1.09354695 0.05924821 0.47679537 0.04616617 -0.22386586 -0.14227007 0.14237115 -0.28956237 0.18900349 0.14091699 0.62817763 0.02919436 -0.08887329 0.61092447 0.84199495 0.13163108 -0.26980788 0.80254659
|
||||
-0.22871929 0.65315621 -0.95041800 -0.05529996 0.43712223 0.08777077 -0.19952924 -0.23019881 0.15810125 -0.28240111 0.14403793 0.06956486 0.58454213 0.06704177 -0.07453043 0.56348993 0.82075225 0.15620247 -0.28426247 0.77951920
|
||||
-0.23981917 0.68533612 -0.82565023 -0.14960990 0.38960979 0.11463129 -0.17629911 -0.29549935 0.16424337 -0.27086934 0.10811196 0.00647376 0.54244927 0.10468900 -0.05734527 0.51790308 0.79919567 0.17791232 -0.29615731 0.75597632
|
||||
-0.25319797 0.69359316 -0.71730713 -0.22248272 0.33854442 0.12705731 -0.15499390 -0.33919101 0.16136503 -0.25521680 0.08019453 -0.04853840 0.50215344 0.14053673 -0.03805411 0.47467410 0.77754444 0.19594888 -0.30551847 0.73203165
|
||||
-0.26558976 0.68467419 -0.62346506 -0.27493099 0.28706933 0.12707887 -0.13613068 -0.36381380 0.15123244 -0.23658292 0.05922780 -0.09584331 0.46382227 0.17333210 -0.01736159 0.43403380 0.75598382 0.20981559 -0.31253676 0.70788642
|
||||
-0.27525100 0.66386502 -0.54230631 -0.30920458 0.23735833 0.11747695 -0.11993757 -0.37256814 0.13604617 -0.21639076 0.04419045 -0.13593185 0.42755423 0.20215861 0.00408657 0.39598138 0.73465965 0.21928998 -0.31752283 0.68379500
|
||||
-0.28144012 0.63521579 -0.47216752 -0.32809328 0.19081183 0.10118186 -0.10642764 -0.36876570 0.11796732 -0.19599564 0.03413363 -0.16936189 0.39339354 0.22640426 0.02571908 0.36034199 0.71367799 0.22437343 -0.32085938 0.66003106
|
||||
-0.28407032 0.60177129 -0.41155896 -0.33451145 0.14824415 0.08080185 -0.09544352 -0.35548637 0.09886579 -0.17650201 0.02819850 -0.19672060 0.36134265 0.24571959 0.04704566 0.32682411 0.69310812 0.22524001 -0.32295785 0.63685908
|
||||
-0.28327370 0.56576528 -0.35916610 -0.33112270 0.11003727 0.05861579 -0.08674718 -0.33545065 0.08019449 -0.15870406 0.02562194 -0.21859810 0.33137241 0.25997277 0.06765768 0.29507078 0.67298749 0.22218933 -0.32422321 0.61451334
|
||||
-0.27959575 0.52882428 -0.31384184 -0.32038770 0.07627915 0.03632394 -0.08003983 -0.31090765 0.06300350 -0.14309296 0.02573504 -0.23556973 0.30343032 0.26920663 0.08722467 0.26470187 0.65332746 0.21560576 -0.32502785 0.59318443
|
||||
-0.27351237 0.49208501 -0.27459219 -0.30434019 0.04685276 0.01518366 -0.07501014 -0.28368041 0.04796206 -0.12990481 0.02795750 -0.24818450 0.27744706 0.27359983 0.10548849 0.23534644 0.63411922 0.20592476 -0.32569430 0.57301252
|
||||
-0.26554856 0.45632433 -0.24056080 -0.28466952 0.02151783 -0.00397300 -0.07135425 -0.25518590 0.03543536 -0.11917160 0.03179004 -0.25695828 0.25334170 0.27343338 0.12225623 0.20666601 0.61533939 0.19360627 -0.32648552 0.55408583
|
||||
-0.25619935 0.42204813 -0.21101263 -0.26272503 -0.00003937 -0.02063050 -0.06879560 -0.22649558 0.02554602 -0.11078174 0.03680596 -0.26237012 0.23102574 0.26906240 0.13739265 0.17836980 0.59695491 0.17911431 -0.32760129 0.53644310
|
||||
-0.24590571 0.38956247 -0.18531845 -0.23955536 -0.01816691 -0.03454000 -0.06708795 -0.19838501 0.01824571 -0.10452649 0.04264281 -0.26486089 0.21040627 0.26089296 0.15081262 0.15022327 0.57892730 0.16290192 -0.32917907 0.52007867
|
||||
-0.23504395 0.35902885 -0.16294054 -0.21596134 -0.03322033 -0.04565561 -0.06601795 -0.17140033 0.01336530 -0.10014403 0.04899451 -0.26483342 0.19138837 0.24936308 0.16247401 0.12205175 0.56121602 0.14540052 -0.33129817 0.50494900
|
||||
-0.22392237 0.33050611 -0.14341977 -0.19253429 -0.04554677 -0.05406443 -0.06540496 -0.14590132 0.01066505 -0.09734772 0.05560421 -0.26265367 0.17387695 0.23492752 0.17237094 0.09374014 0.54378121 0.12701262 -0.33398578 0.49097995
|
||||
-0.21278356 0.30398234 -0.12636424 -0.16970133 -0.05547446 -0.05994220 -0.06510120 -0.12210755 0.00986595 -0.09585050 0.06225789 -0.25865248 0.15777810 0.21804538 0.18052780 0.06523001 0.52658571 0.10810723 -0.33722427 0.47807401
|
||||
-0.20181047 0.27939879 -0.11143937 -0.14775950 -0.06330697 -0.06351847 -0.06498749 -0.10013405 0.01067585 -0.09537950 0.06877885 -0.25312767 0.14300011 0.19917027 0.18699376 0.03651497 0.50959652 0.08901722 -0.34095882 0.46611724
|
||||
-0.19113376 0.25666723 -0.09835929 -0.12690910 -0.06932068 -0.06505346 -0.06496870 -0.08002021 0.01280859 -0.09568532 0.07502295 -0.24634633 0.12945420 0.17874235 0.19183795 0.00763469 0.49278581 0.07003826 -0.34510510 0.45498544
|
||||
-0.18084037 0.23568274 -0.08687951 -0.10727514 -0.07376414 -0.06480505 -0.06497196 -0.06175032 0.01599406 -0.09654683 0.08087447 -0.23854706 0.11705498 0.15718204 0.19514512 -0.02133138 0.47613144 0.05142874 -0.34955653 0.44454972
|
||||
-0.17098236 0.21633276 -0.07679062 -0.08892854 -0.07685982 -0.06303377 -0.06494183 -0.04527319 0.01998593 -0.09777296 0.08624259 -0.22994228 0.10572084 0.13488508 0.19701194 -0.05027087 0.45961724 0.03341051 -0.35419103 0.43468104
|
||||
-0.16158461 0.19850302 -0.06791291 -0.07190186 -0.07880459 -0.05998263 -0.06483749 -0.03051369 0.02456330 -0.09920232 0.09105840 -0.22072033 0.09537408 0.11221870 0.19754364 -0.07904519 0.44323301 0.01617024 -0.35887718 0.42525412
|
||||
-0.15265210 0.18208175 -0.06009193 -0.05619935 -0.07977253 -0.05587585 -0.06463053 -0.01738134 0.02953342 -0.10070131 0.09527223 -0.21104752 0.08594107 0.08951886 0.19685117 -0.10749613 0.42697429 -0.00013891 -0.36347952 0.41615044
|
||||
-0.14417610 0.16696207 -0.05319459 -0.04180463 -0.07991710 -0.05091815 -0.06430202 -0.00577817 0.03472958 -0.10216157 0.09885134 -0.20106998 0.07735226 0.06708829 0.19504868 -0.13545216 0.41084202 -0.01539522 -0.36786333 0.40726060
|
||||
-0.13613899 0.15304344 -0.04710599 -0.02868762 -0.07937281 -0.04529359 -0.06384053 0.00439797 0.04000997 -0.10349720 0.10177788 -0.19091546 0.06954212 0.04519539 0.19225144 -0.16273435 0.39484205 -0.02950626 -0.37189852 0.39848603
|
||||
-0.12851799 0.14023214 -0.04172667 -0.01680811 -0.07825762 -0.03916532 -0.06324137 0.01324992 0.04525562 -0.10464185 0.10404697 -0.18069490 0.06244910 0.02407376 0.18857396 -0.18916181 0.37898458 -0.04240646 -0.37546298 0.38974015
|
||||
-0.12128856 0.12844168 -0.03697040 -0.00611836 -0.07667459 -0.03268019 -0.06250363 0.02087917 0.05036766 -0.10554598 0.10566499 -0.17050397 0.05601552 0.00392241 0.18412852 -0.21455664 0.36328358 -0.05405475 -0.37844521 0.38094905
|
||||
-0.11442579 0.11759226 -0.03276219 0.00343534 -0.07471380 -0.02596394 -0.06163088 0.02738481 0.05526564 -0.10617440 0.10664800 -0.16042441 0.05018743 -0.01509355 0.17902385 -0.23874831 0.34775613 -0.06443206 -0.38074640 0.37205174
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-0.00000031 0.00000028 -0.00000004 -0.00000203 0.00000040 -0.00001550 0.00000271 0.00000083 -0.00001350 0.00000435 0.00000161 -0.00000092 0.00000011 0.00000198 -0.00000013 0.00011685 -0.00001343 -0.00000606 0.00006341 -0.00001754
|
||||
-0.00000033 0.00000028 -0.00000004 -0.00000199 0.00000038 -0.00001554 0.00000261 0.00000082 -0.00001314 0.00000419 0.00000163 -0.00000089 0.00000010 0.00000187 -0.00000011 0.00011290 -0.00001272 -0.00000586 0.00006062 -0.00001666
|
||||
-0.00000035 0.00000027 -0.00000003 -0.00000194 0.00000036 -0.00001553 0.00000251 0.00000081 -0.00001276 0.00000404 0.00000165 -0.00000086 0.00000009 0.00000175 -0.00000009 0.00010895 -0.00001204 -0.00000567 0.00005790 -0.00001582
|
||||
-0.00000037 0.00000026 -0.00000003 -0.00000189 0.00000034 -0.00001548 0.00000241 0.00000080 -0.00001238 0.00000388 0.00000166 -0.00000083 0.00000009 0.00000164 -0.00000007 0.00010503 -0.00001139 -0.00000548 0.00005527 -0.00001501
|
||||
-0.00000038 0.00000026 -0.00000003 -0.00000184 0.00000032 -0.00001538 0.00000231 0.00000079 -0.00001200 0.00000373 0.00000166 -0.00000080 0.00000008 0.00000153 -0.00000006 0.00010113 -0.00001077 -0.00000529 0.00005271 -0.00001422
|
||||
-0.00000040 0.00000025 -0.00000003 -0.00000178 0.00000030 -0.00001524 0.00000222 0.00000078 -0.00001162 0.00000358 0.00000166 -0.00000077 0.00000008 0.00000142 -0.00000004 0.00009727 -0.00001017 -0.00000510 0.00005024 -0.00001348
|
||||
-0.00000041 0.00000024 -0.00000003 -0.00000172 0.00000028 -0.00001506 0.00000212 0.00000077 -0.00001123 0.00000344 0.00000165 -0.00000074 0.00000008 0.00000131 -0.00000003 0.00009346 -0.00000961 -0.00000492 0.00004784 -0.00001276
|
||||
-0.00000041 0.00000023 -0.00000003 -0.00000166 0.00000027 -0.00001486 0.00000203 0.00000075 -0.00001085 0.00000329 0.00000164 -0.00000071 0.00000007 0.00000121 -0.00000002 0.00008971 -0.00000907 -0.00000473 0.00004553 -0.00001207
|
||||
-0.00000042 0.00000023 -0.00000003 -0.00000160 0.00000025 -0.00001462 0.00000194 0.00000074 -0.00001046 0.00000315 0.00000162 -0.00000068 0.00000007 0.00000111 -0.00000001 0.00008602 -0.00000855 -0.00000456 0.00004330 -0.00001141
|
||||
-0.00000042 0.00000022 -0.00000002 -0.00000154 0.00000023 -0.00001436 0.00000186 0.00000073 -0.00001008 0.00000302 0.00000160 -0.00000065 0.00000006 0.00000101 0.0 0.00008241 -0.00000806 -0.00000438 0.00004115 -0.00001078
|
||||
-0.00000043 0.00000021 -0.00000002 -0.00000148 0.00000022 -0.00001407 0.00000177 0.00000071 -0.00000971 0.00000288 0.00000158 -0.00000062 0.00000006 0.00000092 0.00000001 0.00007889 -0.00000759 -0.00000422 0.00003908 -0.00001018
|
||||
-0.00000043 0.00000020 -0.00000002 -0.00000141 0.00000020 -0.00001377 0.00000169 0.00000070 -0.00000933 0.00000275 0.00000155 -0.00000059 0.00000006 0.00000083 0.00000002 0.00007544 -0.00000715 -0.00000405 0.00003709 -0.00000961
|
||||
-0.00000043 0.00000020 -0.00000002 -0.00000135 0.00000019 -0.00001345 0.00000161 0.00000068 -0.00000897 0.00000262 0.00000152 -0.00000057 0.00000005 0.00000074 0.00000003 0.00007209 -0.00000673 -0.00000389 0.00003518 -0.00000907
|
||||
-0.00000043 0.00000019 -0.00000002 -0.00000129 0.00000018 -0.00001311 0.00000153 0.00000067 -0.00000861 0.00000250 0.00000149 -0.00000054 0.00000005 0.00000066 0.00000003 0.00006882 -0.00000633 -0.00000373 0.00003335 -0.00000855
|
||||
-0.00000042 0.00000018 -0.00000002 -0.00000123 0.00000017 -0.00001276 0.00000146 0.00000065 -0.00000825 0.00000238 0.00000146 -0.00000052 0.00000005 0.00000059 0.00000004 0.00006565 -0.00000595 -0.00000358 0.00003159 -0.00000805
|
||||
-0.00000042 0.00000017 -0.00000002 -0.00000117 0.00000015 -0.00001241 0.00000139 0.00000063 -0.00000791 0.00000227 0.00000142 -0.00000049 0.00000004 0.00000052 0.00000004 0.00006258 -0.00000559 -0.00000343 0.00002991 -0.00000758
|
||||
-0.00000041 0.00000017 -0.00000002 -0.00000111 0.00000014 -0.00001204 0.00000132 0.00000062 -0.00000757 0.00000215 0.00000138 -0.00000047 0.00000004 0.00000045 0.00000005 0.00005961 -0.00000525 -0.00000328 0.00002830 -0.00000714
|
||||
-0.00000041 0.00000016 -0.00000002 -0.00000105 0.00000013 -0.00001167 0.00000125 0.00000060 -0.00000724 0.00000205 0.00000134 -0.00000045 0.00000004 0.00000038 0.00000005 0.00005674 -0.00000493 -0.00000314 0.00002677 -0.00000671
|
||||
-0.00000040 0.00000015 -0.00000001 -0.00000100 0.00000012 -0.00001129 0.00000119 0.00000058 -0.00000692 0.00000194 0.00000130 -0.00000042 0.00000004 0.00000033 0.00000005 0.00005396 -0.00000462 -0.00000300 0.00002530 -0.00000631
|
||||
-0.00000040 0.00000015 -0.00000001 -0.00000094 0.00000011 -0.00001092 0.00000112 0.00000057 -0.00000661 0.00000184 0.00000126 -0.00000040 0.00000003 0.00000027 0.00000005 0.00005129 -0.00000434 -0.00000287 0.00002390 -0.00000593
|
||||
501
tests/DFTB/nonscc/sic
Normal file
501
tests/DFTB/nonscc/sic
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, 0.034081 0.313808 -0.764574 0.627970 -0.140978 -0.044222 0.022026 -0.001937 4.4000, 4.4, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -4.743354898790e-01 -1.130501155210e-01 0.0 -4.291662650230e-01 9.450396965580e-01 5*0.0 6.912917099360e-01 6.972278210760e-01 0.0 5.035336202510e-02 -7.870977446630e-01
|
||||
5*0.0 -5.022829835480e-01 -1.309286488440e-01 0.0 -4.476179631880e-01 9.287720510630e-01 5*0.0 6.892364015290e-01 6.968973985170e-01 0.0 5.120915499450e-02 -7.841029879080e-01
|
||||
5*0.0 -5.279289844600e-01 -1.484000372860e-01 0.0 -4.641207480170e-01 9.104156132820e-01 5*0.0 6.868758125170e-01 6.964967021810e-01 0.0 5.181697944260e-02 -7.809590016030e-01
|
||||
5*0.0 -5.512482536990e-01 -1.654166852970e-01 0.0 -4.786392569620e-01 8.904574172480e-01 5*0.0 6.841977177330e-01 6.960213540070e-01 0.0 5.216985723300e-02 -7.776798584370e-01
|
||||
5*0.0 -5.722382015410e-01 -1.819383613790e-01 0.0 -4.911617964990e-01 8.693309468210e-01 5*0.0 6.811913740780e-01 6.954672271140e-01 0.0 5.226203526180e-02 -7.742796982910e-01
|
||||
5*0.0 -5.909156341890e-01 -1.979315656770e-01 0.0 -5.016971708260e-01 8.474182617160e-01 5*0.0 6.778475134050e-01 6.948304547380e-01 0.0 5.208897255140e-02 -7.707725331380e-01
|
||||
5*0.0 -6.073137939640e-01 -2.133689243760e-01 0.0 -5.102717180800e-01 8.250528256740e-01 5*0.0 6.741583238980e-01 6.941074366170e-01 0.0 5.164731643270e-02 -7.671720834410e-01
|
||||
5*0.0 -6.214796957500e-01 -2.282286119600e-01 0.0 -5.169265741570e-01 8.025227821850e-01 5*0.0 6.701174217590e-01 6.932948430820e-01 0.0 5.093486969170e-02 -7.634916432250e-01
|
||||
5*0.0 -6.334717229450e-01 -2.424938105930e-01 0.0 -5.217151757310e-01 7.800744675420e-01 5*0.0 6.657198147850e-01 6.923896171060e-01 0.0 4.995055039430e-02 -7.597439711680e-01
|
||||
5*0.0 -6.433575074040e-01 -2.561522002520e-01 0.0 -5.247010036610e-01 7.579160402700e-01 5*0.0 6.609618592950e-01 6.913889745580e-01 0.0 4.869434586860e-02 -7.559412045330e-01
|
||||
5*0.0 -6.512120434350e-01 -2.691954854990e-01 0.0 -5.259555642660e-01 7.362210786230e-01 5*0.0 6.558412116200e-01 6.902904028770e-01 0.0 4.716726217150e-02 -7.520947937720e-01
|
||||
5*0.0 -6.571160361540e-01 -2.816189568430e-01 0.0 -5.255565971280e-01 7.151320911220e-01 5*0.0 6.503567753490e-01 6.890916583640e-01 0.0 4.537127019970e-02 -7.482154550270e-01
|
||||
5*0.0 -6.611544664660e-01 -2.934210858680e-01 0.0 -5.235864992150e-01 6.947638694300e-01 5*0.0 6.445086454100e-01 6.877907622840e-01 0.0 4.330924943110e-02 -7.443131375930e-01
|
||||
5*0.0 -6.634153384240e-01 -3.046031530900e-01 0.0 -5.201309493810e-01 6.752066536680e-01 5*0.0 6.382980495620e-01 6.863859959410e-01 0.0 4.098493015950e-02 -7.403970060800e-01
|
||||
5*0.0 -6.639886083500e-01 -3.151689082130e-01 0.0 -5.152777153060e-01 6.565290757500e-01 5*0.0 6.317272886270e-01 6.848758948790e-01 0.0 3.840283495980e-02 -7.364754323590e-01
|
||||
5*0.0 -6.629652678040e-01 -3.251242590390e-01 0.0 -5.091156345110e-01 6.387808790010e-01 5*0.0 6.247996754690e-01 6.832592423450e-01 0.0 3.556821996670e-02 -7.325559987380e-01
|
||||
5*0.0 -6.604365624000e-01 -3.344769897470e-01 0.0 -5.017337404240e-01 6.219954027620e-01 5*0.0 6.175194736790e-01 6.815350621530e-01 0.0 3.248701657650e-02 -7.286455082190e-01
|
||||
5*0.0 -6.564933338140e-01 -3.432365051670e-01 0.0 -4.932205299820e-01 6.061918384960e-01 5*0.0 6.098918367280e-01 6.797026110390e-01 0.0 2.916577382130e-02 -7.247500017500e-01
|
||||
5*0.0 -6.512254692720e-01 -3.514135992590e-01 0.0 -4.836633486870e-01 5.913772647820e-01 5*0.0 6.019227471620e-01 6.777613706530e-01 0.0 2.561160194490e-02 -7.208747811040e-01
|
||||
5*0.0 -6.447214457300e-01 -3.590202461620e-01 0.0 -4.731478838920e-01 5.775484717400e-01 5*0.0 5.936189571140e-01 6.757110391830e-01 0.0 2.183211741250e-02 -7.170244359140e-01
|
||||
5*0.0 -6.370679509190e-01 -3.660694131380e-01 0.0 -4.617577512990e-01 5.646935877490e-01 5*0.0 5.849879297560e-01 6.735515228180e-01 0.0 1.783538950260e-02 -7.132028742170e-01
|
||||
5*0.0 -6.283495786660e-01 -3.725748918330e-01 0.0 -4.495741594690e-01 5.527935231860e-01 5*0.0 5.760377822850e-01 6.712829270150e-01 0.0 1.362988874820e-02 -7.094133555600e-01
|
||||
5*0.0 -6.186485830000e-01 -3.785511468950e-01 0.0 -4.366756520040e-01 5.418232461020e-01 5*0.0 5.667772304510e-01 6.689055476920e-01 0.0 9.224437338030e-03 -7.056585259910e-01
|
||||
5*0.0 -6.080446845630e-01 -3.840131812270e-01 0.0 -4.231379028280e-01 5.317529044900e-01 5*0.0 5.572155348980e-01 6.664198623670e-01 0.0 4.628161553180e-03 -7.019404542980e-01
|
||||
5*0.0 -5.966149206130e-01 -3.889764154990e-01 0.0 -4.090335674320e-01 5.225488085090e-01 5*0.0 5.473624493110e-01 6.638265213170e-01 0.0 -1.495536681520e-04 -6.982606689820e-01
|
||||
5*0.0 -5.844335340590e-01 -3.934565805740e-01 0.0 -3.944321778850e-01 5.141742893460e-01 5*0.0 5.372281705290e-01 6.611263387770e-01 0.0 -5.099108013470e-03 -6.946201955080e-01
|
||||
5*0.0 -5.715718935860e-01 -3.974696224160e-01 0.0 -3.794000752470e-01 5.065904442040e-01 5*0.0 5.268232906410e-01 6.583202842350e-01 0.0 -1.021072684650e-02 -6.910195934660e-01
|
||||
5*0.0 -5.580984425310e-01 -4.010316172040e-01 0.0 -3.640003741650e-01 4.997567821410e-01 5*0.0 5.161587511170e-01 6.554094738230e-01 0.0 -1.547450016210e-02 -6.874589933220e-01
|
||||
5*0.0 -5.440786694560e-01 -4.041586967070e-01 0.0 -3.482929537930e-01 4.936317803310e-01 5*0.0 5.052457989430e-01 6.523951618720e-01 0.0 -2.088041926930e-02 -6.839381324980e-01
|
||||
5*0.0 -5.295751003410e-01 -4.068669819260e-01 0.0 -3.323344719980e-01 4.881733617570e-01 5*0.0 4.940959448340e-01 6.492787326070e-01 0.0 -2.641841137890e-02 -6.804563905690e-01
|
||||
5*0.0 -5.146473054180e-01 -4.091725253080e-01 0.0 -3.161783978370e-01 4.833393026360e-01 5*0.0 4.827209234200e-01 6.460616920340e-01 0.0 -3.207837205080e-02 -6.770128234010e-01
|
||||
5*0.0 -4.993519223240e-01 -4.110912593860e-01 0.0 -2.998750592260e-01 4.790875791360e-01 5*0.0 4.711326554410e-01 6.427456600140e-01 0.0 -3.785019557090e-02 -6.736061961030e-01
|
||||
5*0.0 -4.837426895830e-01 -4.126389524530e-01 0.0 -2.834717053780e-01 4.753766589890e-01 5*0.0 4.593432118680e-01 6.393323625520e-01 0.0 -4.372380330460e-02 -6.702350146630e-01
|
||||
5*0.0 -4.678704908540e-01 -4.138311695810e-01 0.0 -2.670125758400e-01 4.721657467060e-01 5*0.0 4.473647799740e-01 6.358236242910e-01 0.0 -4.968917007130e-02 -6.668975562330e-01
|
||||
5*0.0 -4.517834077180e-01 -4.146832390760e-01 0.0 -2.505389829060e-01 4.694149843090e-01 5*0.0 4.352096311990e-01 6.322213612310e-01 0.0 -5.573634861870e-02 -6.635918979350e-01
|
||||
5*0.0 -4.355267789630e-01 -4.152102238970e-01 0.0 -2.340893956380e-01 4.670856211830e-01 5*0.0 4.228900908780e-01 6.285275736790e-01 0.0 -6.185549223510e-02 -6.603159443150e-01
|
||||
5*0.0 -4.191432669350e-01 -4.154268964610e-01 0.0 -2.176995339340e-01 4.651401448750e-01 5*0.0 4.104185096820e-01 6.247443394270e-01 0.0 -6.803687558610e-02 -6.570674531110e-01
|
||||
5*0.0 -4.026729283770e-01 -4.153477181820e-01 0.0 -2.014024633570e-01 4.635423895150e-01 5*0.0 3.978072367640e-01 6.208738071590e-01 0.0 -7.427091383230e-02 -6.538440597110e-01
|
||||
5*0.0 -3.861532887370e-01 -4.149868216130e-01 0.0 -1.852286946030e-01 4.622576162080e-01 5*0.0 3.850685945350e-01 6.169181900960e-01 0.0 -8.054818009060e-02 -6.506433000410e-01
|
||||
5*0.0 -3.696194202750e-01 -4.143579965300e-01 0.0 -1.692062835990e-01 4.612525758670e-01 5*0.0 3.722148550040e-01 6.128797598680e-01 0.0 -8.685942132640e-02 -6.474626320090e-01
|
||||
5*0.0 -3.531040230300e-01 -4.134746779080e-01 0.0 -1.533609343410e-01 4.604955498350e-01 5*0.0 3.592582176520e-01 6.087608406220e-01 0.0 -9.319557272230e-02 -6.442994555000e-01
|
||||
5*0.0 -3.366375073200e-01 -4.123499370420e-01 0.0 -1.377161017640e-01 4.599563772020e-01 5*0.0 3.462107887270e-01 6.045638033590e-01 0.0 -9.954777061420e-02 -6.411511309510e-01
|
||||
5*0.0 -3.202480784100e-01 -4.109964743170e-01 0.0 -1.222930943740e-01 4.596064671170e-01 5*0.0 3.330845619600e-01 6.002910604880e-01 0.0 -1.059073640410e-01 -6.380149965980e-01
|
||||
5*0.0 -3.039618204710e-01 -4.094266147610e-01 0.0 -1.071111759480e-01 4.594187994340e-01 5*0.0 3.198914006050e-01 5.959450606180e-01 0.0 -1.122659249940e-01 -6.348883843700e-01
|
||||
5*0.0 -2.878027842050e-01 -4.076523043860e-01 0.0 -9.218766790270e-02 4.593679152550e-01 5*0.0 3.066430207690e-01 5.915282835490e-01 0.0 -1.186152574350e-01 -6.317686344330e-01
|
||||
5*0.0 -2.717930707610e-01 -4.056851090960e-01 0.0 -7.753804889490e-02 4.594298990400e-01 5*0.0 2.933509759570e-01 5.870432354990e-01 0.0 -1.249474051090e-01 -6.286531087480e-01
|
||||
5*0.0 -2.559529193870e-01 -4.035362145400e-01 0.0 -6.317605161150e-02 4.595823508020e-01 5*0.0 2.800266427940e-01 5.824924445210e-01 0.0 -1.312546582880e-01 -6.255392029530e-01
|
||||
5*0.0 -2.403007911390e-01 -4.012164272180e-01 0.0 -4.911376183560e-02 4.598043570630e-01 5*0.0 2.666812078730e-01 5.778784561390e-01 0.0 -1.375295594180e-01 -6.224243578160e-01
|
||||
5*0.0 -2.248534540000e-01 -3.987361768860e-01 0.0 -3.536171069400e-02 4.600764518220e-01 5*0.0 2.533256556610e-01 5.732038291780e-01 0.0 -1.437649078330e-01 -6.193060689760e-01
|
||||
5*0.0 -2.096260671700e-01 -3.961055197210e-01 0.0 -2.192896715990e-02 4.603805752310e-01 5*0.0 2.399707574430e-01 5.684711317850e-01 0.0 -1.499537634840e-01 -6.161818960000e-01
|
||||
5*0.0 -1.946322605690e-01 -3.933341433290e-01 0.0 -8.823227161160e-03 4.607000286390e-01 5*0.0 2.266270612320e-01 5.636829376510e-01 0.0 -1.560894498410e-01 -6.130494704080e-01
|
||||
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5*0.0 1.493754192540e-02 -1.624591480520e-03 0.0 7.398153485420e-03 5.012578075310e-03 5*0.0 -1.464272924370e-02 1.192339614450e-03 0.0 -5.567890392260e-03 -3.435146561970e-03
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5*0.0 1.387743482140e-02 -1.478004934060e-03 0.0 6.798077237710e-03 4.578804588520e-03 5*0.0 -1.328541023370e-02 1.053793041730e-03 0.0 -4.984018230550e-03 -3.102322366000e-03
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5*0.0 1.353798489400e-02 -1.431849478140e-03 0.0 6.607590332600e-03 4.442044528630e-03 5*0.0 -1.285567001300e-02 1.010864747470e-03 0.0 -4.801110079580e-03 -2.998842042850e-03
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|
||||
5*0.0 3.037226741000e-04 -3.405037763160e-05 0.0 1.550738275680e-04 2.045496370870e-04 5*0.0 2.281679843540e-04 6.190140281420e-05 0.0 -1.699034500490e-04 -3.817185023300e-04
|
||||
5*0.0 2.884906569360e-04 -3.330013863930e-05 0.0 1.503433115550e-04 2.011678421120e-04 5*0.0 2.261134467490e-04 6.227702088150e-05 0.0 -1.721744849360e-04 -3.786564644230e-04
|
||||
5*0.0 2.738719226200e-04 -3.258714281500e-05 0.0 1.458392492270e-04 1.978892755720e-04 5*0.0 2.236770037900e-04 6.264583990420e-05 0.0 -1.744741496610e-04 -3.755814539270e-04
|
||||
5*0.0 2.598484912480e-04 -3.190977070420e-05 0.0 1.415532342010e-04 1.947092522380e-04 5*0.0 2.208779427680e-04 6.300706406650e-05 0.0 -1.767967477830e-04 -3.724922011700e-04
|
||||
5*0.0 2.464027901650e-04 -3.126645693490e-05 0.0 1.374771048970e-04 1.916232590100e-04 5*0.0 2.177349574310e-04 6.335994717930e-05 0.0 -1.791368373660e-04 -3.693875547190e-04
|
||||
5*0.0 2.335176413030e-04 -3.065568962540e-05 0.0 1.336029288500e-04 1.886269443240e-04 5*0.0 2.142661687340e-04 6.370379160730e-05 0.0 -1.814892224150e-04 -3.662664778970e-04
|
||||
5*0.0 2.211762685270e-04 -3.007600897560e-05 0.0 1.299230059170e-04 1.857161200800e-04 5*0.0 2.104891193340e-04 6.403794677720e-05 0.0 -1.838489452710e-04 -3.631280422380e-04
|
||||
5*0.0 2.093622714650e-04 -2.952600425190e-05 0.0 1.264298586510e-04 1.828867527670e-04 5*0.0 2.064208179980e-04 6.436180435670e-05 0.0 -1.862112807400e-04 -3.599714249620e-04
|
||||
5*0.0 1.980596396280e-04 -2.900431515750e-05 0.0 1.231162290950e-04 1.801349602490e-04 5*0.0 2.020777188250e-04 6.467480120010e-05 0.0 -1.885717263680e-04 -3.567959018120e-04
|
||||
5*0.0 1.872527296080e-04 -2.850962811610e-05 0.0 1.199750724050e-04 1.774570070000e-04 5*0.0 1.974757587100e-04 6.497641484720e-05 0.0 -1.909259984870e-04 -3.536008447620e-04
|
||||
5*0.0 1.769262642370e-04 -2.804067560760e-05 0.0 1.169995502800e-04 1.748492992860e-04 5*0.0 1.926303611920e-04 6.526616166660e-05 0.0 -1.932700220820e-04 -3.503857170330e-04
|
||||
5*0.0 1.670653282740e-04 -2.759623483400e-05 0.0 1.141830311170e-04 1.723083843530e-04 5*0.0 1.875564460450e-04 6.554359640460e-05 0.0 -1.955999271300e-04 -3.471500684510e-04
|
||||
5*0.0 1.576553598320e-04 -2.717512726850e-05 0.0 1.115190800800e-04 1.698309424120e-04 5*0.0 1.822684450780e-04 6.580831083930e-05 0.0 -1.979120395940e-04 -3.438935321240e-04
|
||||
5*0.0 1.486821429280e-04 -2.677621541900e-05 0.0 1.090014581510e-04 1.674137844000e-04 5*0.0 1.767803183140e-04 6.605993060520e-05 0.0 -2.002028781460e-04 -3.406158213660e-04
|
||||
5*0.0 1.401318023700e-04 -2.639840413400e-05 0.0 1.066241147560e-04 1.650538479590e-04 5*0.0 1.711055594170e-04 6.629811593040e-05 0.0 -2.024691439770e-04 -3.373167232020e-04
|
||||
5*0.0 1.319907993320e-04 -2.604063724300e-05 0.0 1.043811842750e-04 1.627481940120e-04 5*0.0 1.652572059910e-04 6.652255913490e-05 0.0 -2.047077180770e-04 -3.339960983640e-04
|
||||
5*0.0 1.242459232430e-04 -2.570189763700e-05 0.0 1.022669832040e-04 1.604940023620e-04 5*0.0 1.592478534450e-04 6.673298325360e-05 0.0 -2.069156543140e-04 -3.306538737430e-04
|
||||
5*0.0 1.168842822030e-04 -2.538120562200e-05 0.0 1.002760025860e-04 1.582885684500e-04 5*0.0 1.530896777890e-04 6.692914031820e-05 0.0 -2.090901734520e-04 -3.272900433470e-04
|
||||
5*0.0 1.098933050410e-04 -2.507761786730e-05 0.0 9.840290497390e-05 1.561292996420e-04 5*0.0 1.467944222400e-04 6.711081192170e-05 0.0 -2.112286562300e-04 -3.239046610950e-04
|
||||
5*0.0 1.032607295270e-04 -2.479022637620e-05 0.0 9.664252353620e-05 1.540137131390e-04 5*0.0 1.403734284900e-04 6.727780558210e-05 0.0 -2.133286412490e-04 -3.204978397960e-04
|
||||
5*0.0 9.697459668960e-05 -2.451815777910e-05 0.0 9.498985034830e-05 1.519394286650e-04 5*0.0 1.338376380220e-04 6.742995573090e-05 0.0 -2.153878163240e-04 -3.170697476040e-04
|
||||
5*0.0 9.102324933550e-05 -2.426057159020e-05 0.0 9.344004272610e-05 1.499041719530e-04 5*0.0 1.271976035480e-04 6.756712074500e-05 0.0 -2.174040163700e-04 -3.136206053150e-04
|
||||
5*0.0 8.539531731230e-05 -2.401665965200e-05 0.0 9.198840794030e-05 1.479057636650e-04 5*0.0 1.204635053410e-04 6.768918325940e-05 0.0 -2.193752147490e-04 -3.101506821440e-04
|
||||
5*0.0 8.007972649960e-05 -2.378564536750e-05 0.0 9.063040948310e-05 1.459421230590e-04 5*0.0 1.136451466660e-04 6.779604850040e-05 0.0 -2.212995219940e-04 -3.066602950260e-04
|
||||
5*0.0 7.506567798740e-05 -2.356678224670e-05 0.0 8.936165582100e-05 1.440112603140e-04 5*0.0 1.067519773320e-04 6.788764335640e-05 0.0 -2.231751781440e-04 -3.031498038550e-04
|
||||
5*0.0 7.034264888980e-05 -2.335935302520e-05 0.0 8.817789960770e-05 1.421112757120e-04 5*0.0 9.979310116110e-05 6.796391476520e-05 0.0 -2.250005503710e-04 -2.996196105280e-04
|
||||
5*0.0 6.590039253200e-05 -2.316266942780e-05 0.0 8.707503639010e-05 1.402403572820e-04 5*0.0 9.277727478750e-05 6.802483022150e-05 0.0 -2.267741270890e-04 -2.960701556190e-04
|
||||
5*0.0 6.172892232980e-05 -2.297607025980e-05 0.0 8.604909616430e-05 1.383967760970e-04 5*0.0 8.571293060130e-05 6.807037515070e-05 0.0 -2.284945132620e-04 -2.925019156790e-04
|
||||
5*0.0 5.781851581860e-05 -2.279892171020e-05 0.0 8.509624322250e-05 1.365788844340e-04 5*0.0 7.860817577010e-05 6.810055347650e-05 0.0 -2.301604270940e-04 -2.889154010940e-04
|
||||
5*0.0 5.415970214280e-05 -2.263061504290e-05 0.0 8.421277174410e-05 1.347851136130e-04 5*0.0 7.147080598640e-05 6.811538520440e-05 0.0 -2.317706967230e-04 -2.853111554580e-04
|
||||
5*0.0 5.074326293600e-05 -2.247056754610e-05 0.0 8.339510218830e-05 1.330139706430e-04 5*0.0 6.430831121260e-05 6.811490760810e-05 0.0 -2.333242531980e-04 -2.816897499210e-04
|
||||
5*0.0 4.756022286750e-05 -2.231822027500e-05 0.0 8.263977770210e-05 1.312640353620e-04 5*0.0 5.712788679620e-05 6.809917235010e-05 0.0 -2.348201289180e-04 -2.780517845300e-04
|
||||
5*0.0 4.460184720310e-05 -2.217303793350e-05 0.0 8.194346281970e-05 1.295339599890e-04 5*0.0 4.993643916620e-05 6.806824585560e-05 0.0 -2.362574532390e-04 -2.743978842850e-04
|
||||
5*0.0 4.185963693330e-05 -2.203450805110e-05 0.0 8.130293794120e-05 1.278224640960e-04 5*0.0 4.274059200920e-05 6.802220854550e-05 0.0 -2.376354488620e-04 -2.707286977280e-04
|
||||
5*0.0 3.932531972160e-05 -2.190214019940e-05 0.0 8.071509647760e-05 1.261283333130e-04 5*0.0 3.554670208600e-05 6.796115364740e-05 0.0 -2.389534277260e-04 -2.670448953210e-04
|
||||
5*0.0 3.699085212900e-05 -2.177546526110e-05 0.0 8.017694329200e-05 1.244504171560e-04 5*0.0 2.836085634450e-05 6.788518673940e-05 0.0 -2.402107881230e-04 -2.633471669230e-04
|
||||
5*0.0 3.484840949080e-05 -2.165403489100e-05 0.0 7.968559090640e-05 1.227876276050e-04 5*0.0 2.118888648030e-05 6.779442524450e-05 0.0 -2.414070101570e-04 -2.596362204920e-04
|
||||
5*0.0 3.289038347260e-05 -2.153742073400e-05 0.0 7.923825655590e-05 1.211389349000e-04 5*0.0 1.403637476080e-05 6.768899747780e-05 0.0 -2.425416542710e-04 -2.559127810140e-04
|
||||
5*0.0 3.110937630140e-05 -2.142521347200e-05 0.0 7.883225887600e-05 1.195033675230e-04 5*0.0 6.908659151550e-06 6.756904191080e-05 0.0 -2.436143562380e-04 -2.521775879690e-04
|
||||
5*0.0 2.949819653790e-05 -2.131702282680e-05 0.0 7.846501533630e-05 1.178800082650e-04 5*0.0 -1.891563468790e-07 6.743470726100e-05 0.0 -2.446248250170e-04 -2.484313939390e-04
|
||||
5*0.0 2.804985665600e-05 -2.121247626050e-05 0.0 7.813404115990e-05 1.162679944390e-04 5*0.0 -7.252199025210e-06 6.728615087130e-05 0.0 -2.455728389210e-04 -2.446749631690e-04
|
||||
5*0.0 2.675756660860e-05 -2.111121889350e-05 0.0 7.783694594650e-05 1.146665146120e-04 5*0.0 -1.427581885890e-05 6.712353922140e-05 0.0 -2.464582445120e-04 -2.409090709630e-04
|
||||
5*0.0 2.561472801420e-05 -2.101291270750e-05 0.0 7.757141958140e-05 1.130747997150e-04 5*0.0 -2.125557749990e-05 6.694704619770e-05 0.0 -2.472809505270e-04 -2.371345020830e-04
|
||||
5*0.0 2.461493697360e-05 -2.091723664910e-05 0.0 7.733526210900e-05 1.114921442940e-04 5*0.0 -2.818725259130e-05 6.675685392350e-05 0.0 -2.480409285490e-04 -2.333520474570e-04
|
||||
5*0.0 2.375196739360e-05 -2.082388344380e-05 0.0 7.712634162770e-05 1.099178732530e-04 5*0.0 -3.506682259730e-05 6.655315156150e-05 0.0 -2.487382078660e-04 -2.295625046920e-04
|
||||
5*0.0 2.301978089380e-05 -2.073256265920e-05 0.0 7.694261679770e-05 1.083513634410e-04 5*0.0 -4.189045744230e-05 6.633613355780e-05 0.0 -2.493728733670e-04 -2.257666793180e-04
|
||||
5*0.0 2.241251190370e-05 -2.064299905090e-05 0.0 7.678211558050e-05 1.067920243960e-04 5*0.0 -4.865452798380e-05 6.610600199270e-05 0.0 -2.499450651770e-04 -2.219653776260e-04
|
||||
5*0.0 2.192447278240e-05 -2.055492956820e-05 0.0 7.664297153130e-05 1.052393246850e-04 5*0.0 -5.535558753760e-05 6.586296428030e-05 0.0 -2.504549718520e-04 -2.181594111090e-04
|
||||
5*0.0 2.155013445610e-05 -2.046810598850e-05 0.0 7.652336300370e-05 1.036927509040e-04 5*0.0 -6.199036365970e-05 6.560723192620e-05 0.0 -2.509028321670e-04 -2.143495918180e-04
|
||||
5*0.0 2.128415281810e-05 -2.038229386310e-05 0.0 7.642156779920e-05 1.021518433890e-04 5*0.0 -6.855576825120e-05 6.533902255500e-05 0.0 -2.512889311270e-04 -2.105367351140e-04
|
||||
5*0.0 2.112132102160e-05 -2.029726973180e-05 0.0 7.633591721570e-05 1.006161673860e-04 5*0.0 -7.504887280810e-05 6.505855747000e-05 0.0 -2.516135965700e-04 -2.067216540690e-04
|
||||
5*0.0 2.105661185940e-05 -2.021282442170e-05 0.0 7.626483095050e-05 9.908533329690e-05 5*0.0 -8.146691835940e-05 6.476606162810e-05 0.0 -2.518772002570e-04 -2.029051626810e-04
|
||||
5*0.0 2.108513969080e-05 -2.012875898350e-05 0.0 7.620677953670e-05 9.755897233390e-05 5*0.0 -8.780730642590e-05 6.446176509030e-05 0.0 -2.520801508910e-04 -1.990880709930e-04
|
||||
5*0.0 2.120217352790e-05 -2.004488673550e-05 0.0 7.616030716420e-05 9.603675650830e-05 5*0.0 -9.406758524940e-05 6.414589920060e-05 0.0 -2.522228968780e-04 -1.952711898010e-04
|
||||
5*0.0 2.140312898960e-05 -1.996103127810e-05 0.0 7.612402266350e-05 9.451838539670e-05 5*0.0 -1.002454566660e-04 6.381869954810e-05 0.0 -2.523059222130e-04 -1.914553243740e-04
|
||||
5*0.0 2.168356698950e-05 -1.987702747710e-05 0.0 7.609659654240e-05 9.300358801370e-05 5*0.0 -1.063387647930e-04 6.348040374030e-05 0.0 -2.523297437280e-04 -1.876412764970e-04
|
||||
5*0.0 2.203918441030e-05 -1.979271980690e-05 0.0 7.607675341220e-05 9.149211874760e-05 5*0.0 -1.123455006560e-04 6.313125324120e-05 0.0 -2.522949106070e-04 -1.838298424500e-04
|
||||
5*0.0 2.246582036370e-05 -1.970796276830e-05 0.0 7.606328508710e-05 8.998376144210e-05 5*0.0 -1.182637742350e-04 6.277148823520e-05 0.0 -2.522020032900e-04 -1.800218154550e-04
|
||||
5*0.0 2.295944545780e-05 -1.962262021860e-05 0.0 7.605503265620e-05 8.847832466090e-05 5*0.0 -1.240918406400e-04 6.240135370090e-05 0.0 -2.520516294190e-04 -1.762179804440e-04
|
||||
5*0.0 2.351615878930e-05 -1.953656519220e-05 0.0 7.605089139720e-05 8.697563651150e-05 5*0.0 -1.298280744090e-04 6.202109440610e-05 0.0 -2.518444237020e-04 -1.724191171400e-04
|
||||
5*0.0 2.413219493880e-05 -1.944967976130e-05 0.0 7.604982135800e-05 8.547556013760e-05 5*0.0 -1.354709756420e-04 6.163095721180e-05 0.0 -2.515810464920e-04 -1.686259966740e-04
|
||||
501
tests/DFTB/nonscc/sih
Normal file
501
tests/DFTB/nonscc/sih
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, +0.018868 -0.004407 -0.004275 +0.001923 4*0.0 5.2 4.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
8*0.0 -1.154396321580e-01 4.495596808360e-02 8*0.0 -1.811083674540e-01 3.227474170780e-01
|
||||
8*0.0 -1.062060251610e-01 3.489872808800e-02 8*0.0 -1.907536294240e-01 3.256949172130e-01
|
||||
8*0.0 -9.629304581380e-02 2.429648903950e-02 8*0.0 -2.004309146830e-01 3.287294717000e-01
|
||||
8*0.0 -8.578942199850e-02 1.323390200150e-02 8*0.0 -2.101328548750e-01 3.318422679430e-01
|
||||
8*0.0 -7.478363114340e-02 1.793543495120e-03 8*0.0 -2.198516410000e-01 3.350242914660e-01
|
||||
8*0.0 -6.335485609300e-02 -9.948090557290e-03 8*0.0 -2.295790797990e-01 3.382663741190e-01
|
||||
8*0.0 -5.157822727240e-02 -2.191989356920e-02 8*0.0 -2.393066486190e-01 3.415592401410e-01
|
||||
8*0.0 -3.952336686990e-02 -3.405574697070e-02 8*0.0 -2.490255483050e-01 3.448935499320e-01
|
||||
8*0.0 -2.725373254080e-02 -4.629553851010e-02 8*0.0 -2.587267542590e-01 3.482599413100e-01
|
||||
8*0.0 -1.482857164310e-02 -5.858351255290e-02 8*0.0 -2.684010649420e-01 3.516490684780e-01
|
||||
8*0.0 -2.302095212020e-03 -7.086880052210e-02 8*0.0 -2.780391484340e-01 3.550516383070e-01
|
||||
8*0.0 1.027621121930e-02 -8.310536073210e-02 8*0.0 -2.876315863800e-01 3.584584440570e-01
|
||||
8*0.0 2.286080939150e-02 -9.525130484790e-02 8*0.0 -2.971689158020e-01 3.618603973220e-01
|
||||
8*0.0 3.541039001310e-02 -1.072691366350e-01 8*0.0 -3.066416678690e-01 3.652485559550e-01
|
||||
8*0.0 4.788658251390e-02 -1.191244832750e-01 8*0.0 -3.160404053600e-01 3.686141519390e-01
|
||||
8*0.0 6.025597208280e-02 -1.307872823960e-01 8*0.0 -3.253557561810e-01 3.719486143490e-01
|
||||
8*0.0 7.248721650460e-02 -1.422305244010e-01 8*0.0 -3.345784458550e-01 3.752435920060e-01
|
||||
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|
||||
8*0.0 3.899498653850e-05 -9.438352166300e-05 8*0.0 4.992013701800e-05 3.123821577120e-04
|
||||
8*0.0 3.947062516500e-05 -9.467300756990e-05 8*0.0 4.427550308050e-05 3.129458658810e-04
|
||||
8*0.0 3.995339566420e-05 -9.493921841260e-05 8*0.0 3.865153064230e-05 3.134255266910e-04
|
||||
8*0.0 4.044185598540e-05 -9.518198107640e-05 8*0.0 3.305031509140e-05 3.138218129040e-04
|
||||
8*0.0 4.093484529700e-05 -9.540106346910e-05 8*0.0 2.747390543160e-05 3.141354162570e-04
|
||||
8*0.0 4.143122267340e-05 -9.559637076290e-05 8*0.0 2.192430059760e-05 3.143670429980e-04
|
||||
8*0.0 4.192986820440e-05 -9.576775208160e-05 8*0.0 1.640344703430e-05 3.145174181320e-04
|
||||
8*0.0 4.242977261820e-05 -9.591511597450e-05 8*0.0 1.091324418130e-05 3.145872797340e-04
|
||||
8*0.0 4.293000030020e-05 -9.603840283000e-05 8*0.0 5.455544471800e-06 3.145773820700e-04
|
||||
8*0.0 4.342959200050e-05 -9.613757539360e-05 8*0.0 3.214714900440e-08 3.144884932780e-04
|
||||
8*0.0 4.392786218450e-05 -9.621262095450e-05 8*0.0 -5.355184667500e-06 3.143213951350e-04
|
||||
8*0.0 4.442381166800e-05 -9.626353722530e-05 8*0.0 -1.070474703350e-05 3.140768834810e-04
|
||||
8*0.0 4.491683585910e-05 -9.629036508770e-05 8*0.0 -1.601487238620e-05 3.137557651240e-04
|
||||
8*0.0 4.540623380860e-05 -9.629315333630e-05 8*0.0 -2.128394128450e-05 3.133588604820e-04
|
||||
8*0.0 4.589135923250e-05 -9.627197458490e-05 8*0.0 -2.651037988200e-05 3.128870017940e-04
|
||||
8*0.0 4.637163029570e-05 -9.622691862150e-05 8*0.0 -3.169265721620e-05 3.123410314840e-04
|
||||
8*0.0 4.684650390940e-05 -9.615808358750e-05 8*0.0 -3.682928484070e-05 3.117218040150e-04
|
||||
8*0.0 4.731545656880e-05 -9.606561063990e-05 8*0.0 -4.191881940310e-05 3.110301832640e-04
|
||||
8*0.0 4.777801434940e-05 -9.594962535190e-05 8*0.0 -4.695986096530e-05 3.102670429080e-04
|
||||
8*0.0 4.823380445980e-05 -9.581030140840e-05 8*0.0 -5.195104770460e-05 3.094332669200e-04
|
||||
8*0.0 4.868231100010e-05 -9.564777618740e-05 8*0.0 -5.689106564630e-05 3.085297472430e-04
|
||||
8*0.0 4.912326263850e-05 -9.546226979190e-05 8*0.0 -6.177863573880e-05 3.075573859280e-04
|
||||
8*0.0 4.955633381260e-05 -9.525396251330e-05 8*0.0 -6.661252484920e-05 3.065170913700e-04
|
||||
8*0.0 4.998114633780e-05 -9.502305136890e-05 8*0.0 -7.139153855770e-05 3.054097815760e-04
|
||||
8*0.0 5.039747561060e-05 -9.476977723570e-05 8*0.0 -7.611452124740e-05 3.042363809430e-04
|
||||
8*0.0 5.080504878650e-05 -9.449434070720e-05 8*0.0 -8.078036015780e-05 3.029978214950e-04
|
||||
8*0.0 5.120363271110e-05 -9.419701057660e-05 8*0.0 -8.538797787210e-05 3.016950410650e-04
|
||||
8*0.0 5.159304938150e-05 -9.387800737160e-05 8*0.0 -8.993634113510e-05 3.003289857310e-04
|
||||
8*0.0 5.197309879860e-05 -9.353761033180e-05 8*0.0 -9.442445054660e-05 2.989006050760e-04
|
||||
8*0.0 5.234359908160e-05 -9.317606640120e-05 8*0.0 -9.885134808180e-05 2.974108564420e-04
|
||||
8*0.0 5.270444438180e-05 -9.279365804290e-05 8*0.0 -1.032161115270e-04 2.958607013870e-04
|
||||
8*0.0 5.305546774210e-05 -9.239065612920e-05 8*0.0 -1.075178580780e-04 2.942511064590e-04
|
||||
8*0.0 5.339658969420e-05 -9.196734338240e-05 8*0.0 -1.117557400400e-04 2.925830433210e-04
|
||||
8*0.0 5.372768735750e-05 -9.152401462570e-05 8*0.0 -1.159289491110e-04 2.908574880350e-04
|
||||
8*0.0 5.404870409980e-05 -9.106097209550e-05 8*0.0 -1.200367106960e-04 2.890754192370e-04
|
||||
8*0.0 5.435956822190e-05 -9.057850676450e-05 8*0.0 -1.240782885230e-04 2.872378215760e-04
|
||||
8*0.0 5.466024566710e-05 -9.007692480970e-05 8*0.0 -1.280529801730e-04 2.853456811500e-04
|
||||
8*0.0 5.495067286310e-05 -8.955653864560e-05 8*0.0 -1.319601209650e-04 2.833999877640e-04
|
||||
8*0.0 5.523080529380e-05 -8.901765796600e-05 8*0.0 -1.357990788490e-04 2.814017342570e-04
|
||||
8*0.0 5.550067052710e-05 -8.846059846910e-05 8*0.0 -1.395692572160e-04 2.793519152430e-04
|
||||
8*0.0 5.576023069110e-05 -8.788568600180e-05 8*0.0 -1.432700943590e-04 2.772515282880e-04
|
||||
8*0.0 5.600948250390e-05 -8.729323496350e-05 8*0.0 -1.469010622130e-04 2.751015724110e-04
|
||||
8*0.0 5.624843418220e-05 -8.668356798890e-05 8*0.0 -1.504616657610e-04 2.729030482540e-04
|
||||
8*0.0 5.647710858010e-05 -8.605701710110e-05 8*0.0 -1.539514428730e-04 2.706569574730e-04
|
||||
8*0.0 5.669553920710e-05 -8.541390261440e-05 8*0.0 -1.573699658540e-04 2.683643034990e-04
|
||||
8*0.0 5.690371829250e-05 -8.475456041510e-05 8*0.0 -1.607168377760e-04 2.660260900820e-04
|
||||
8*0.0 5.710173168150e-05 -8.407932083940e-05 8*0.0 -1.639916935890e-04 2.636433213660e-04
|
||||
8*0.0 5.728955342620e-05 -8.338851457650e-05 8*0.0 -1.671942027180e-04 2.612170009800e-04
|
||||
8*0.0 5.746729308290e-05 -8.268246563340e-05 8*0.0 -1.703240600830e-04 2.587481343400e-04
|
||||
8*0.0 5.763495164620e-05 -8.196151559640e-05 8*0.0 -1.733809988980e-04 2.562377258720e-04
|
||||
8*0.0 5.779262450460e-05 -8.122599495480e-05 8*0.0 -1.763647765300e-04 2.536867775480e-04
|
||||
8*0.0 5.794033273100e-05 -8.047623412050e-05 8*0.0 -1.792751841170e-04 2.510962934590e-04
|
||||
8*0.0 5.807812569220e-05 -7.971256291120e-05 8*0.0 -1.821120411440e-04 2.484672746300e-04
|
||||
8*0.0 5.820610454090e-05 -7.893531393520e-05 8*0.0 -1.848751968140e-04 2.458007221400e-04
|
||||
8*0.0 5.832431514430e-05 -7.814482811940e-05 8*0.0 -1.875645266380e-04 2.430976335280e-04
|
||||
8*0.0 5.843284593030e-05 -7.734142656490e-05 8*0.0 -1.901799392990e-04 2.403590065340e-04
|
||||
8*0.0 5.853172822260e-05 -7.652544483960e-05 8*0.0 -1.927213683730e-04 2.375858354800e-04
|
||||
8*0.0 5.862104954710e-05 -7.569720595540e-05 8*0.0 -1.951887749170e-04 2.347791144470e-04
|
||||
8*0.0 5.870089635520e-05 -7.485704530460e-05 8*0.0 -1.975821474710e-04 2.319398319570e-04
|
||||
8*0.0 5.877132581270e-05 -7.400528524440e-05 8*0.0 -1.999015036600e-04 2.290689760240e-04
|
||||
8*0.0 5.883243589090e-05 -7.314225228240e-05 8*0.0 -2.021468842760e-04 2.261675310170e-04
|
||||
8*0.0 5.888425575180e-05 -7.226827024190e-05 8*0.0 -2.043183576460e-04 2.232364790710e-04
|
||||
8*0.0 5.892692901290e-05 -7.138366214590e-05 8*0.0 -2.064160168270e-04 2.202767967130e-04
|
||||
8*0.0 5.896047940690e-05 -7.048874706640e-05 8*0.0 -2.084399804910e-04 2.172894590560e-04
|
||||
8*0.0 5.898500141020e-05 -6.958384439790e-05 8*0.0 -2.103903929130e-04 2.142754359480e-04
|
||||
8*0.0 5.900057456200e-05 -6.866927536330e-05 8*0.0 -2.122674204430e-04 2.112356945580e-04
|
||||
501
tests/DFTB/nonscc/sih-d
Normal file
501
tests/DFTB/nonscc/sih-d
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, +0.018868 -0.004407 -0.004275 +0.001923 4*0.0 5.2 4.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
7*0.0 -7.125143945190e-02 -7.601665252190e-02 -2.401345408140e-02 7*0.0 6.099554568700e-02 -1.893157812130e-01 4.011181675540e-01
|
||||
7*0.0 -7.646788678820e-02 -6.691077873440e-02 -3.293619907300e-02 7*0.0 6.682143014070e-02 -1.991204956680e-01 4.032166762260e-01
|
||||
7*0.0 -8.166834991230e-02 -5.720521331720e-02 -4.235170382280e-02 7*0.0 7.285325211320e-02 -2.089285574450e-01 4.053777781200e-01
|
||||
7*0.0 -8.683729287900e-02 -4.698271418200e-02 -5.218652882410e-02 7*0.0 7.908147800260e-02 -2.187331212660e-01 4.075946188130e-01
|
||||
7*0.0 -9.196054555710e-02 -3.632131779780e-02 -6.237050205200e-02 7*0.0 8.549641972030e-02 -2.285270978130e-01 4.098601850510e-01
|
||||
7*0.0 -9.702523734460e-02 -2.529423772590e-02 -7.283703295870e-02 7*0.0 9.208825603600e-02 -2.383031998620e-01 4.121673471980e-01
|
||||
7*0.0 -1.020197329920e-01 -1.396980242410e-02 -8.352333429790e-02 7*0.0 9.884705368550e-02 -2.480539852370e-01 4.145088988640e-01
|
||||
7*0.0 -1.069335709230e-01 -2.411429972210e-03 -9.437057905580e-02 7*0.0 1.057627878190e-01 -2.577718970290e-01 4.168775934130e-01
|
||||
7*0.0 -1.117573625570e-01 9.322203596270e-03 -1.053239071600e-01 7*0.0 1.128253614590e-01 -2.674493010840e-01 4.192661787530e-01
|
||||
7*0.0 -1.164827671200e-01 2.117717873460e-02 -1.163325186110e-01 7*0.0 1.200246251910e-01 -2.770785204320e-01 4.216674272380e-01
|
||||
7*0.0 -1.211023997430e-01 3.310407772890e-02 -1.273495896000e-01 7*0.0 1.273503953810e-01 -2.866518672850e-01 4.240741648160e-01
|
||||
7*0.0 -1.256097709810e-01 4.505783016200e-02 -1.383321933420e-01 7*0.0 1.347924723250e-01 -2.961616724140e-01 4.264792966910e-01
|
||||
7*0.0 -1.299992237960e-01 5.699747902330e-02 -1.492412003430e-01 7*0.0 1.423406573290e-01 -3.056003120210e-01 4.288758306720e-01
|
||||
7*0.0 -1.342658768300e-01 6.888600535210e-02 -1.600411268020e-01 7*0.0 1.499847698850e-01 -3.149602323370e-01 4.312568982040e-01
|
||||
7*0.0 -1.384055772550e-01 8.069000389670e-02 -1.707000252120e-01 7*0.0 1.577146632540e-01 -3.242339719700e-01 4.336157731890e-01
|
||||
7*0.0 -1.424148335050e-01 9.237953210500e-02 -1.811892397250e-01 7*0.0 1.655202401820e-01 -3.334141822590e-01 4.359458887930e-01
|
||||
7*0.0 -1.462907827330e-01 1.039278113690e-01 -1.914832711700e-01 7*0.0 1.733914675390e-01 -3.424936455570e-01 4.382408522960e-01
|
||||
7*0.0 -1.500311363430e-01 1.153110023920e-01 -2.015595781960e-01 7*0.0 1.813183904520e-01 -3.514652918700e-01 4.404944581870e-01
|
||||
7*0.0 -1.536341521590e-01 1.265080164230e-01 -2.113983893080e-01 7*0.0 1.892911457980e-01 -3.603222136820e-01 4.427006996090e-01
|
||||
7*0.0 -1.570985598130e-01 1.375002495960e-01 -2.209825123920e-01 7*0.0 1.972999749060e-01 -3.690576792070e-01 4.448537782350e-01
|
||||
7*0.0 -1.604235783070e-01 1.482713914750e-01 -2.302971458510e-01 7*0.0 2.053352357980e-01 -3.776651442490e-01 4.469481127630e-01
|
||||
7*0.0 -1.636088368770e-01 1.588072439400e-01 -2.393297001450e-01 7*0.0 2.133874146460e-01 -3.861382626130e-01 4.489783460720e-01
|
||||
7*0.0 -1.666543900970e-01 1.690955417310e-01 -2.480696185330e-01 7*0.0 2.214471367370e-01 -3.944708953440e-01 4.509393511810e-01
|
||||
7*0.0 -1.695606385940e-01 1.791257599370e-01 -2.565082190370e-01 7*0.0 2.295051766990e-01 -4.026571187350e-01 4.528262360520e-01
|
||||
7*0.0 -1.723283501890e-01 1.888889746400e-01 -2.646385191570e-01 7*0.0 2.375524681810e-01 -4.106912312860e-01 4.546343474160e-01
|
||||
7*0.0 -1.749586059110e-01 1.983777331050e-01 -2.724551093810e-01 7*0.0 2.455801130920e-01 -4.185677596480e-01 4.563592735760e-01
|
||||
7*0.0 -1.774527964240e-01 2.075859140710e-01 -2.799539898400e-01 7*0.0 2.535793897840e-01 -4.262814636890e-01 4.579968463870e-01
|
||||
7*0.0 -1.798125606540e-01 2.165086010920e-01 -2.871324564530e-01 7*0.0 2.615417614030e-01 -4.338273406500e-01 4.595431423730e-01
|
||||
7*0.0 -1.820398280690e-01 2.251419850720e-01 -2.939889703360e-01 7*0.0 2.694588830370e-01 -4.412006285510e-01 4.609944831330e-01
|
||||
7*0.0 -1.841367549910e-01 2.334832708430e-01 -3.005230503760e-01 7*0.0 2.773226087930e-01 -4.483968088720e-01 4.623474350400e-01
|
||||
7*0.0 -1.861057063520e-01 2.415305663690e-01 -3.067351636410e-01 7*0.0 2.851249978920e-01 -4.554116085540e-01 4.635988083090e-01
|
||||
7*0.0 -1.879492432350e-01 2.492828400220e-01 -3.126266396410e-01 7*0.0 2.928583209260e-01 -4.622410013840e-01 4.647456554820e-01
|
||||
7*0.0 -1.896701208310e-01 2.567398023520e-01 -3.181995696510e-01 7*0.0 3.005150650160e-01 -4.688812087930e-01 4.657852693730e-01
|
||||
7*0.0 -1.912712421820e-01 2.639018769610e-01 -3.234567390810e-01 7*0.0 3.080879387020e-01 -4.753287001620e-01 4.667151805450e-01
|
||||
7*0.0 -1.927556608760e-01 2.707701196300e-01 -3.284015437990e-01 7*0.0 3.155698765650e-01 -4.815801925860e-01 4.675331542920e-01
|
||||
7*0.0 -1.941265569540e-01 2.773461645020e-01 -3.330379276820e-01 7*0.0 3.229540430800e-01 -4.876326502400e-01 4.682371872810e-01
|
||||
7*0.0 -1.953872185730e-01 2.836321723140e-01 -3.373703193310e-01 7*0.0 3.302338363050e-01 -4.934832832770e-01 4.688255037590e-01
|
||||
7*0.0 -1.965410338470e-01 2.896307927940e-01 -3.414035769580e-01 7*0.0 3.374028912740e-01 -4.991295463780e-01 4.692965514430e-01
|
||||
7*0.0 -1.975914593800e-01 2.953451093160e-01 -3.451429340600e-01 7*0.0 3.444550818710e-01 -5.045691368790e-01 4.696489971650e-01
|
||||
7*0.0 -1.985420239830e-01 3.007785928740e-01 -3.485939527670e-01 7*0.0 3.513845242860e-01 -5.097999926620e-01 4.698817221110e-01
|
||||
7*0.0 -1.993963053140e-01 3.059350781040e-01 -3.517624799870e-01 7*0.0 3.581855784010e-01 -5.148202896300e-01 4.699938169360e-01
|
||||
7*0.0 -2.001579100670e-01 3.108187237610e-01 -3.546546111060e-01 7*0.0 3.648528492940e-01 -5.196284389510e-01 4.699845766070e-01
|
||||
7*0.0 -2.008304467680e-01 3.154339822000e-01 -3.572766458010e-01 7*0.0 3.713811888260e-01 -5.242230840400e-01 4.698534950630e-01
|
||||
7*0.0 -2.014175811380e-01 3.197855378350e-01 -3.596350610680e-01 7*0.0 3.777656960770e-01 -5.286030972330e-01 4.696002597010e-01
|
||||
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|
||||
7*0.0 -1.289614095890e-04 7.596553165950e-05 -8.255496513800e-05 7*0.0 3.951316968000e-04 -3.696037881810e-04 2.417436707770e-04
|
||||
7*0.0 -1.280982676830e-04 7.737467287680e-05 -8.226621501040e-05 7*0.0 3.865072957170e-04 -3.719498272120e-04 2.392010084470e-04
|
||||
7*0.0 -1.271961462030e-04 7.878116956780e-05 -8.196172378480e-05 7*0.0 3.778484243170e-04 -3.741581745010e-04 2.366220115720e-04
|
||||
7*0.0 -1.262547686510e-04 8.018278084470e-05 -8.164129887350e-05 7*0.0 3.691589904890e-04 -3.762299359980e-04 2.340079981580e-04
|
||||
7*0.0 -1.252739295180e-04 8.157737092100e-05 -8.130478025990e-05 7*0.0 3.604428540470e-04 -3.781662747260e-04 2.313602802970e-04
|
||||
7*0.0 -1.242535105090e-04 8.296290669610e-05 -8.095203893180e-05 7*0.0 3.517038249230e-04 -3.799684077990e-04 2.286801633910e-04
|
||||
7*0.0 -1.231934775000e-04 8.433745363660e-05 -8.058297600800e-05 7*0.0 3.429456615530e-04 -3.816376035400e-04 2.259689454170e-04
|
||||
7*0.0 -1.220938749640e-04 8.569917510000e-05 -8.019752020000e-05 7*0.0 3.341720693360e-04 -3.831751786740e-04 2.232279162240e-04
|
||||
7*0.0 -1.209548074690e-04 8.704632591990e-05 -7.979562725080e-05 7*0.0 3.253866991710e-04 -3.845824956170e-04 2.204583568640e-04
|
||||
7*0.0 -1.197764780390e-04 8.837725333310e-05 -7.937727933810e-05 7*0.0 3.165931461680e-04 -3.858609598530e-04 2.176615389620e-04
|
||||
7*0.0 -1.185591260160e-04 8.969039111890e-05 -7.894248291900e-05 7*0.0 3.077949483890e-04 -3.870120173730e-04 2.148387241210e-04
|
||||
7*0.0 -1.173030719740e-04 9.098425863320e-05 -7.849126712840e-05 7*0.0 2.989955857430e-04 -3.880371522200e-04 2.119911633460e-04
|
||||
7*0.0 -1.160086887930e-04 9.225745734820e-05 -7.802368440620e-05 7*0.0 2.901984789390e-04 -3.889378840880e-04 2.091200965160e-04
|
||||
7*0.0 -1.146764037860e-04 9.350866805980e-05 -7.753980801750e-05 7*0.0 2.814069885560e-04 -3.897157660180e-04 2.062267518750e-04
|
||||
7*0.0 -1.133067068930e-04 9.473664972780e-05 -7.703973107230e-05 7*0.0 2.726244141760e-04 -3.903723821530e-04 2.033123455550e-04
|
||||
7*0.0 -1.119001256300e-04 9.594023463640e-05 -7.652356628910e-05 7*0.0 2.638539936160e-04 -3.909093455660e-04 2.003780811270e-04
|
||||
7*0.0 -1.104572398410e-04 9.711832869810e-05 -7.599144414070e-05 7*0.0 2.550989022500e-04 -3.913282961760e-04 1.974251491800e-04
|
||||
7*0.0 -1.089786795830e-04 9.826990660130e-05 -7.544351200950e-05 7*0.0 2.463622523780e-04 -3.916308987100e-04 1.944547269280e-04
|
||||
7*0.0 -1.074651039400e-04 9.939401130260e-05 -7.487993422270e-05 7*0.0 2.376470927090e-04 -3.918188407420e-04 1.914679778360e-04
|
||||
7*0.0 -1.059172196210e-04 1.004897509940e-04 -7.430088986890e-05 7*0.0 2.289564078950e-04 -3.918938308050e-04 1.884660512770e-04
|
||||
7*0.0 -1.043357674430e-04 1.015562962590e-04 -7.370657241780e-05 7*0.0 2.202931181370e-04 -3.918575965550e-04 1.854500822090e-04
|
||||
7*0.0 -1.027215177310e-04 1.025928799410e-04 -7.309718927950e-05 7*0.0 2.116600788550e-04 -3.917118830030e-04 1.824211908800e-04
|
||||
7*0.0 -1.010752776460e-04 1.035987926900e-04 -7.247296056600e-05 7*0.0 2.030600804300e-04 -3.914584508050e-04 1.793804825470e-04
|
||||
7*0.0 -9.939787818340e-05 1.045733826700e-04 -7.183411800850e-05 7*0.0 1.944958480210e-04 -3.910990746120e-04 1.763290472220e-04
|
||||
7*0.0 -9.769017888100e-05 1.055160519520e-04 -7.118090545290e-05 7*0.0 1.859700414080e-04 -3.906355414850e-04 1.732679594400e-04
|
||||
7*0.0 -9.595306349180e-05 1.064262572470e-04 -7.051357621680e-05 7*0.0 1.774852549140e-04 -3.900696493500e-04 1.701982780390e-04
|
||||
7*0.0 -9.418743679080e-05 1.073035048690e-04 -6.983239414480e-05 7*0.0 1.690440173780e-04 -3.894032055230e-04 1.671210459710e-04
|
||||
7*0.0 -9.239422364060e-05 1.081473508210e-04 -6.913763199480e-05 7*0.0 1.606487921860e-04 -3.886380252810e-04 1.640372901190e-04
|
||||
7*0.0 -9.057437067510e-05 1.089573987340e-04 -6.842957074600e-05 7*0.0 1.523019773560e-04 -3.877759304840e-04 1.609480211420e-04
|
||||
7*0.0 -8.872883582650e-05 1.097332976390e-04 -6.770849998960e-05 7*0.0 1.440059056210e-04 -3.868187482510e-04 1.578542333300e-04
|
||||
7*0.0 -8.685859203400e-05 1.104747407300e-04 -6.697471522440e-05 7*0.0 1.357628446580e-04 -3.857683096860e-04 1.547569044770e-04
|
||||
7*0.0 -8.496462906830e-05 1.111814636330e-04 -6.622851992400e-05 7*0.0 1.275749972540e-04 -3.846264486470e-04 1.516569957780e-04
|
||||
7*0.0 -8.304794308070e-05 1.118532424920e-04 -6.547022270950e-05 7*0.0 1.194445015780e-04 -3.833950005630e-04 1.485554517280e-04
|
||||
7*0.0 -8.110954125310e-05 1.124898929280e-04 -6.470013844720e-05 7*0.0 1.113734314770e-04 -3.820758013020e-04 1.454532000420e-04
|
||||
7*0.0 -7.915043869880e-05 1.130912683240e-04 -6.391858603850e-05 7*0.0 1.033637968200e-04 -3.806706860730e-04 1.423511515940e-04
|
||||
7*0.0 -7.717165991120e-05 1.136572572140e-04 -6.312589001390e-05 7*0.0 9.541754384010e-05 -3.791814883820e-04 1.392502003640e-04
|
||||
7*0.0 -7.517422843660e-05 1.141877845290e-04 -6.232237778940e-05 7*0.0 8.753655555990e-05 -3.776100390240e-04 1.361512233920e-04
|
||||
7*0.0 -7.315917429460e-05 1.146828074480e-04 -6.150838111640e-05 7*0.0 7.972265223140e-05 -3.759581651100e-04 1.330550807640e-04
|
||||
7*0.0 -7.112753312070e-05 1.151423154980e-04 -6.068423491550e-05 7*0.0 7.197759177660e-05 -3.742276891470e-04 1.299626155850e-04
|
||||
7*0.0 -6.908033724670e-05 1.155663286070e-04 -5.985027560280e-05 7*0.0 6.430307032100e-05 -3.724204281450e-04 1.268746539860e-04
|
||||
7*0.0 -6.701861901760e-05 1.159548960920e-04 -5.900684355160e-05 7*0.0 5.670072268300e-05 -3.705381927660e-04 1.237920051260e-04
|
||||
7*0.0 -6.494341184950e-05 1.163080961820e-04 -5.815427914010e-05 7*0.0 4.917212294740e-05 -3.685827865130e-04 1.207154612100e-04
|
||||
7*0.0 -6.285574595450e-05 1.166260324570e-04 -5.729292577260e-05 7*0.0 4.171878503840e-05 -3.665560049420e-04 1.176457975270e-04
|
||||
7*0.0 -6.075664749050e-05 1.169088359290e-04 -5.642312675220e-05 7*0.0 3.434216330950e-05 -3.644596349240e-04 1.145837724770e-04
|
||||
501
tests/DFTB/nonscc/sin
Normal file
501
tests/DFTB/nonscc/sin
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500
|
||||
0.0 +0.248462 -1.073794 +2.318812 -2.652501 +1.632213 -0.505317 +0.062158 1*0.0 4.50 4.50 9*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 -5.281895306990e-01 4.300318320840e-03 0.0 -5.494809001390e-01 8.800379098910e-01 5*0.0 6.233255287680e-01 6.152016820470e-01 0.0 8.138274142990e-02 -6.878481641500e-01
|
||||
5*0.0 -5.680974992410e-01 -2.202017571310e-02 0.0 -5.745696809410e-01 8.664626382010e-01 5*0.0 6.228715428730e-01 6.155789771290e-01 0.0 8.343797361190e-02 -6.859065500670e-01
|
||||
5*0.0 -6.045517461090e-01 -4.768349898720e-02 0.0 -5.968892812050e-01 8.505367066910e-01 5*0.0 6.220918376890e-01 6.158940058860e-01 0.0 8.518320854710e-02 -6.838378419430e-01
|
||||
5*0.0 -6.375443397110e-01 -7.262491078030e-02 0.0 -6.164021790880e-01 8.328624727320e-01 5*0.0 6.209685792480e-01 6.161403327510e-01 0.0 8.660947054740e-02 -6.816563740950e-01
|
||||
5*0.0 -6.670989924390e-01 -9.679080756210e-02 0.0 -6.331062877790e-01 8.139673224560e-01 5*0.0 6.194860974370e-01 6.163118967940e-01 0.0 8.770945146520e-02 -6.793764099060e-01
|
||||
5*0.0 -6.932660136520e-01 -1.201376591500e-01 0.0 -6.470295561590e-01 7.943079892800e-01 5*0.0 6.176308632570e-01 6.164030229590e-01 0.0 8.847748738950e-02 -6.770119158500e-01
|
||||
5*0.0 -7.161178172880e-01 -1.426310053860e-01 0.0 -6.582250231840e-01 7.742756176820e-01 5*0.0 6.153914489700e-01 6.164084294910e-01 0.0 8.890952031780e-02 -6.745763774670e-01
|
||||
5*0.0 -7.357449478670e-01 -1.642445206120e-01 0.0 -6.667663496470e-01 7.542012273790e-01 5*0.0 6.127584738300e-01 6.163232319600e-01 0.0 8.900304740640e-02 -6.720826529500e-01
|
||||
5*0.0 -7.522525852840e-01 -1.849591454840e-01 0.0 -6.727438335110e-01 7.343613133650e-01 5*0.0 6.097245378060e-01 6.161429442720e-01 0.0 8.875706012020e-02 -6.695428600530e-01
|
||||
5*0.0 -7.657574965400e-01 -2.047622834870e-01 0.0 -6.762608963510e-01 7.149833927840e-01 5*0.0 6.062841455070e-01 6.158634769960e-01 0.0 8.817197538160e-02 -6.669682922390e-01
|
||||
5*0.0 -7.763853757550e-01 -2.236470660770e-01 0.0 -6.774310127650e-01 6.962513650050e-01 5*0.0 6.024336223960e-01 6.154811333700e-01 0.0 8.724956054930e-02 -6.643693601970e-01
|
||||
5*0.0 -7.842685473050e-01 -2.416116779550e-01 0.0 -6.763750547110e-01 6.783105940820e-01 5*0.0 5.981710250910e-01 6.149926032710e-01 0.0 8.599285385840e-02 -6.617555551580e-01
|
||||
5*0.0 -7.895439804990e-01 -2.586587437690e-01 0.0 -6.732190106570e-01 6.612726559570e-01 5*0.0 5.934960473800e-01 6.143949554380e-01 0.0 8.440608173670e-02 -6.591354307380e-01
|
||||
5*0.0 -7.923515913850e-01 -2.747947684160e-01 0.0 -6.680920480950e-01 6.452197176910e-01 5*0.0 5.884099234070e-01 6.136856282240e-01 0.0 8.249457423780e-02 -6.565166003680e-01
|
||||
5*0.0 -7.928327815490e-01 -2.900296324900e-01 0.0 -6.611248713900e-01 6.302085397810e-01 5*0.0 5.829153293220e-01 6.128624190960e-01 0.0 8.026467965210e-02 -6.539057476520e-01
|
||||
5*0.0 -7.911292007950e-01 -3.043761335860e-01 0.0 -6.524483502120e-01 6.162740981410e-01 5*0.0 5.770162844880e-01 6.119234731230e-01 0.0 7.772367920250e-02 -6.513086473200e-01
|
||||
5*0.0 -7.873816980400e-01 -3.178495728200e-01 0.0 -6.421923768370e-01 6.034328412020e-01 5*0.0 5.707180531940e-01 6.108672706480e-01 0.0 7.487970260520e-02 -6.487301947140e-01
|
||||
5*0.0 -7.817294319350e-01 -3.304673831130e-01 0.0 -6.304849241180e-01 5.916855978340e-01 5*0.0 5.640270477260e-01 6.096926143040e-01 0.0 7.174164514090e-02 -6.461744419830e-01
|
||||
5*0.0 -7.743091314390e-01 -3.422487939590e-01 0.0 -6.174512766310e-01 5.810201591510e-01 5*0.0 5.569507334120e-01 6.083986155730e-01 0.0 6.831908676590e-02 -6.436446394460e-01
|
||||
5*0.0 -7.652544782550e-01 -3.532145306160e-01 0.0 -6.032134100430e-01 5.714135581480e-01 5*0.0 5.494975362560e-01 6.069846809940e-01 0.0 6.462221370860e-02 -6.411432807470e-01
|
||||
5*0.0 -7.546956024160e-01 -3.633865441270e-01 0.0 -5.878894975060e-01 5.628340730470e-01 5*0.0 5.416767535790e-01 6.054504981770e-01 0.0 6.066174289550e-02 -6.386721506670e-01
|
||||
5*0.0 -7.427586679910e-01 -3.727877705170e-01 0.0 -5.715935225820e-01 5.552429797950e-01 5*0.0 5.334984680200e-01 6.037960217200e-01 0.0 5.644884948200e-02 -6.362323745850e-01
|
||||
5*0.0 -7.295655458990e-01 -3.814419147620e-01 0.0 -5.544349851160e-01 5.485960774330e-01 5*0.0 5.249734651610e-01 6.020214591370e-01 0.0 5.199509768220e-02 -6.338244687810e-01
|
||||
5*0.0 -7.152335582900e-01 -3.893732584720e-01 0.0 -5.365186852400e-01 5.428450105470e-01 5*0.0 5.161131549550e-01 6.001272568750e-01 0.0 4.731237506530e-02 -6.314483909100e-01
|
||||
5*0.0 -6.998752868680e-01 -3.966064885910e-01 0.0 -5.179445730520e-01 5.379384095590e-01 5*0.0 5.069294971120e-01 5.981140864950e-01 0.0 4.241283036370e-02 -6.291035899280e-01
|
||||
5*0.0 -6.835984343010e-01 -4.031665456740e-01 0.0 -4.988076540330e-01 5.338228708700e-01 5*0.0 4.974349304150e-01 5.959828310880e-01 0.0 3.730881490120e-02 -6.267890552910e-01
|
||||
5*0.0 -6.665057380220e-01 -4.090784886130e-01 0.0 -4.791979443170e-01 5.304437922410e-01 5*0.0 4.876423060850e-01 5.937345719610e-01 0.0 3.201282760220e-02 -6.245033647180e-01
|
||||
5*0.0 -6.486949202050e-01 -4.143673768650e-01 0.0 -4.592004620880e-01 5.277460839480e-01 5*0.0 4.775648250780e-01 5.913705756530e-01 0.0 2.653746358220e-02 -6.222447304430e-01
|
||||
5*0.0 -6.302586821460e-01 -4.190581644830e-01 0.0 -4.388952595410e-01 5.256747657580e-01 5*0.0 4.672159792870e-01 5.888922813080e-01 0.0 2.089536626320e-02 -6.200110436250e-01
|
||||
5*0.0 -6.112847214180e-01 -4.231756099780e-01 0.0 -4.183574768680e-01 5.241754692150e-01 5*0.0 4.566094965570e-01 5.863012884340e-01 0.0 1.509918294610e-02 -6.177999167730e-01
|
||||
5*0.0 -5.918557874170e-01 -4.267441947370e-01 0.0 -3.976574273740e-01 5.231948511520e-01 5*0.0 4.457592893730e-01 5.835993450580e-01 0.0 9.161523747520e-03 -6.156087240400e-01
|
||||
5*0.0 -5.720497490340e-01 -4.297880551800e-01 0.0 -3.768606976370e-01 5.226809345700e-01 5*0.0 4.346794071050e-01 5.807883363260e-01 0.0 3.094923788210e-03 -6.134346393240e-01
|
||||
5*0.0 -5.519396919770e-01 -4.323309221010e-01 0.0 -3.560282681160e-01 5.225833825270e-01 5*0.0 4.233839916660e-01 5.778702735030e-01 0.0 -3.088191462660e-03 -6.112746721020e-01
|
||||
5*0.0 -5.315940291250e-01 -4.343960700100e-01 0.0 -3.352166469810e-01 5.228537154370e-01 5*0.0 4.118872364140e-01 5.748472834440e-01 0.0 -9.375537839220e-03 -6.091257009990e-01
|
||||
5*0.0 -5.110766243210e-01 -4.360062741940e-01 0.0 -3.144780145900e-01 5.234454792550e-01 5*0.0 4.002033481540e-01 5.717215984740e-01 0.0 -1.575500122660e-02 -6.069845050770e-01
|
||||
5*0.0 -4.904469325660e-01 -4.371837741030e-01 0.0 -2.938603793140e-01 5.243143696350e-01 5*0.0 3.883465120580e-01 5.684955467300e-01 0.0 -2.221466357810e-02 -6.048477928930e-01
|
||||
5*0.0 -4.697601448590e-01 -4.379502444270e-01 0.0 -2.734077374380e-01 5.254183209190e-01 5*0.0 3.763308593640e-01 5.651715429240e-01 0.0 -2.874282630150e-02 -6.027122293470e-01
|
||||
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5*0.0 1.710649559770e-02 -1.918777017250e-03 0.0 8.402426585790e-03 5.603180777370e-03 5*0.0 -1.625452718950e-02 1.422024935520e-03 0.0 -6.392384335920e-03 -3.637851197780e-03
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5*0.0 1.669221629400e-02 -1.858657376540e-03 0.0 8.168276006490e-03 5.431593494250e-03 5*0.0 -1.574254977060e-02 1.366371585940e-03 0.0 -6.167984891400e-03 -3.512585341530e-03
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5*0.0 1.628610136490e-02 -1.800226991570e-03 0.0 7.939744071810e-03 5.264882379170e-03 5*0.0 -1.524323690910e-02 1.312682989950e-03 0.0 -5.950255628720e-03 -3.391606737420e-03
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5*0.0 1.588803006450e-02 -1.743444047410e-03 0.0 7.716719804980e-03 5.102927781830e-03 5*0.0 -1.475635908210e-02 1.260900595530e-03 0.0 -5.739041769160e-03 -3.274793065260e-03
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5*0.0 1.232383836730e-02 -1.257653359030e-03 0.0 5.766154287500e-03 3.720355839350e-03 5*0.0 -1.052258336620e-02 8.360454658900e-04 0.0 -3.952960350010e-03 -2.310710946490e-03
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5*0.0 1.200655450000e-02 -1.216480692370e-03 0.0 5.596855379480e-03 3.603494143370e-03 5*0.0 -1.015797778790e-02 8.017648025360e-04 0.0 -3.803902557050e-03 -2.232387763160e-03
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5*0.0 1.169594181820e-02 -1.176519905110e-03 0.0 5.431858145550e-03 3.490132076720e-03 5*0.0 -9.803229248610e-03 7.687936855880e-04 0.0 -3.659693062990e-03 -2.156962352370e-03
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5*0.0 1.139189263850e-02 -1.137739738550e-03 0.0 5.271072145660e-03 3.380178722130e-03 5*0.0 -9.458138489790e-03 7.370903899290e-04 0.0 -3.520208348630e-03 -2.084344617610e-03
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5*0.0 1.109430034170e-02 -1.100109639550e-03 0.0 5.114408422140e-03 3.273545127200e-03 5*0.0 -9.122508743840e-03 7.066142995880e-04 0.0 -3.385327182020e-03 -2.014446661890e-03
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5*0.0 1.080305937880e-02 -1.063599746860e-03 0.0 4.961779481250e-03 3.170144271230e-03 5*0.0 -8.796145746280e-03 6.773258833970e-04 0.0 -3.254930598160e-03 -1.947182748940e-03
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5*0.0 1.051806527470e-02 -1.028180877300e-03 0.0 4.813099280820e-03 3.069891032140e-03 5*0.0 -8.478857746070e-03 6.491866709950e-04 0.0 -3.128901878120e-03 -1.882469264680e-03
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5*0.0 9.966405141910e-03 -9.605027850120e-04 0.0 4.527248091070e-03 2.878496213980e-03 5*0.0 -7.870752351830e-03 5.962071393700e-04 0.0 -2.889492255440e-03 -1.760369508070e-03
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5*0.0 9.438505782900e-03 -8.968549541590e-04 0.0 4.256194942300e-03 2.698716436250e-03 5*0.0 -7.296709108520e-03 5.473882731180e-04 0.0 -2.666208660140e-03 -1.647519479050e-03
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5*0.0 9.183216727630e-03 -8.664762581250e-04 0.0 4.126017502100e-03 2.612988635650e-03 5*0.0 -7.022008311860e-03 5.244535265070e-04 0.0 -2.560345565720e-03 -1.594375546590e-03
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5*0.0 7.989492210450e-03 -7.280367575770e-04 0.0 3.525555125700e-03 2.223043896290e-03 5*0.0 -5.764726761330e-03 4.232497945880e-04 0.0 -2.084730838840e-03 -1.358654717760e-03
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5*0.0 7.766628733730e-03 -7.028739790310e-04 0.0 3.415031783490e-03 2.152307402220e-03 5*0.0 -5.535332333470e-03 4.054933861310e-04 0.0 -1.999665283040e-03 -1.317046753670e-03
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5*0.0 7.548843263860e-03 -6.785002455130e-04 0.0 3.307532230050e-03 2.083833617700e-03 5*0.0 -5.312909446470e-03 3.884991004950e-04 0.0 -1.917733957190e-03 -1.277137794160e-03
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5*0.0 7.336045498860e-03 -6.548940457350e-04 0.0 3.202987881990e-03 2.017559259600e-03 5*0.0 -5.097299230070e-03 3.722402566870e-04 0.0 -1.838847251370e-03 -1.238868456350e-03
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5*0.0 7.128146229980e-03 -6.320343779690e-04 0.0 3.101331388630e-03 1.953422519460e-03 5*0.0 -4.888345309860e-03 3.566909399190e-04 0.0 -1.762917469550e-03 -1.202180975600e-03
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5*0.0 6.925057334600e-03 -6.099007395040e-04 0.0 3.002496620750e-03 1.891363034620e-03 5*0.0 -4.685893796640e-03 3.418259833510e-04 0.0 -1.689858804020e-03 -1.167019172350e-03
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5*0.0 6.726691777310e-03 -5.884731162000e-04 0.0 2.906418651660e-03 1.831321861490e-03 5*0.0 -4.489793274660e-03 3.276209501660e-04 0.0 -1.619587309830e-03 -1.133328419330e-03
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5*0.0 6.532963608240e-03 -5.677319726390e-04 0.0 2.813033743060e-03 1.773241449630e-03 5*0.0 -4.299894789150e-03 3.140521160120e-04 0.0 -1.552020879040e-03 -1.101055609230e-03
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5*0.0 6.343787958250e-03 -5.476582424060e-04 0.0 2.722279329710e-03 1.717065613750e-03 5*0.0 -4.116051832550e-03 3.010964517140e-04 0.0 -1.487079215010e-03 -1.070149122770e-03
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|
||||
5*0.0 4.448279272310e-05 -2.243333770100e-05 0.0 8.957391913470e-05 9.792024013180e-05 5*0.0 -3.332937805910e-04 5.153671013430e-05 0.0 -2.192165993430e-04 -1.147563812390e-04
|
||||
5*0.0 4.620792218180e-05 -2.229751053640e-05 0.0 8.929606522470e-05 9.576788330520e-05 5*0.0 -3.361809864840e-04 5.076259147360e-05 0.0 -2.167585915400e-04 -1.107358335100e-04
|
||||
461
tests/DFTB/nonscc/sio
Normal file
461
tests/DFTB/nonscc/sio
Normal file
|
|
@ -0,0 +1,461 @@
|
|||
0.02, 458
|
||||
0.0, -0.046182 0.045042 -0.017722 0.001314 0.002482 3*0.0,
|
||||
4.56, 3.8, 9*0.0,
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
5*0.0 5.990768099280e-01 -1.284137914500e-01 0.0 6.565937762190e-01 -7.874870731000e-01 5*0.0 -5.651179469630e-01 -5.427872004230e-01 0.0 -1.043164730850e-01 5.920057959530e-01
|
||||
5*0.0 6.513682729010e-01 -9.250692086830e-02 0.0 6.888956380840e-01 -7.775875620580e-01 5*0.0 -5.662173295670e-01 -5.438781089710e-01 0.0 -1.072730775830e-01 5.911791818360e-01
|
||||
5*0.0 6.987644743840e-01 -5.759870955440e-02 0.0 7.175138632900e-01 -7.651641452720e-01 5*0.0 -5.669607012480e-01 -5.449118165490e-01 0.0 -1.098656646680e-01 5.902487361920e-01
|
||||
5*0.0 7.412967856310e-01 -2.377122476990e-02 0.0 7.424060407180e-01 -7.509320524980e-01 5*0.0 -5.673253254310e-01 -5.458798003910e-01 0.0 -1.120833058290e-01 5.892287688780e-01
|
||||
5*0.0 7.790400073950e-01 8.909383208480e-03 0.0 7.635789450170e-01 -7.355075274870e-01 5*0.0 -5.672914080910e-01 -5.467740723250e-01 0.0 -1.139172841940e-01 5.881333153780e-01
|
||||
5*0.0 8.121048968600e-01 4.039128305420e-02 0.0 7.810808975040e-01 -7.194149766010e-01 5*0.0 -5.668420311620e-01 -5.475871883050e-01 0.0 -1.153610471250e-01 5.869758894620e-01
|
||||
5*0.0 8.406314715600e-01 7.063546013260e-02 0.0 7.949947938360e-01 -7.030947514230e-01 5*0.0 -5.659630654190e-01 -5.483122527690e-01 0.0 -1.164101378670e-01 5.857692892780e-01
|
||||
5*0.0 8.647830567370e-01 9.961431446360e-02 0.0 8.054318080680e-01 -6.869111678310e-01 5*0.0 -5.646430668260e-01 -5.489429184820e-01 0.0 -1.170621104850e-01 5.845254505580e-01
|
||||
5*0.0 8.847410398060e-01 1.273103591090e-01 0.0 8.125257553940e-01 -6.711604995170e-01 5*0.0 -5.628731598230e-01 -5.494733824680e-01 0.0 -1.173164318660e-01 5.832553402500e-01
|
||||
5*0.0 9.007002734880e-01 1.537150187530e-01 0.0 8.164281005510e-01 -6.560786858450e-01 5*0.0 -5.606469109590e-01 -5.498983785880e-01 0.0 -1.171743740710e-01 5.819688860730e-01
|
||||
5*0.0 9.128650968040e-01 1.788275244060e-01 0.0 8.173035689880e-01 -6.418486916530e-01 5*0.0 -5.579601953390e-01 -5.502131672650e-01 0.0 -1.166388998860e-01 5.806749350670e-01
|
||||
5*0.0 9.214459039970e-01 2.026539043910e-01 0.0 8.153263243010e-01 -6.286073736490e-01 5*0.0 -5.548110585180e-01 -5.504135227990e-01 0.0 -1.157145440200e-01 5.793812374380e-01
|
||||
5*0.0 9.266562250680e-01 2.252060638430e-01 0.0 8.106766720110e-01 -6.164518187220e-01 5*0.0 -5.511995758840e-01 -5.504957187110e-01 0.0 -1.144072920120e-01 5.780944509520e-01
|
||||
5*0.0 9.287102583150e-01 2.465009516570e-01 0.0 8.035382389630e-01 -6.054451386760e-01 5*0.0 -5.471277113010e-01 -5.504565114700e-01 0.0 -1.127244586070e-01 5.768201620980e-01
|
||||
5*0.0 9.278208106090e-01 2.665598068820e-01 0.0 7.940955888460e-01 -5.956216769730e-01 5*0.0 -5.425991765140e-01 -5.502931229440e-01 0.0 -1.106745670070e-01 5.755629205380e-01
|
||||
5*0.0 9.241976051310e-01 2.854074807290e-01 0.0 7.825322265490e-01 -5.869917277850e-01 5*0.0 -5.376192926770e-01 -5.500032218710e-01 0.0 -1.082672302140e-01 5.743262842070e-01
|
||||
5*0.0 9.180459002230e-01 3.030718296540e-01 0.0 7.690289467960e-01 -5.795456763160e-01 5*0.0 -5.321948549080e-01 -5.495849046080e-01 0.0 -1.055130353860e-01 5.731128721310e-01
|
||||
5*0.0 9.095653845700e-01 3.195831736160e-01 0.0 7.537624909610e-01 -5.732576777220e-01 5*0.0 -5.263340008110e-01 -5.490366753970e-01 0.0 -1.024234319720e-01 5.719244230680e-01
|
||||
5*0.0 8.989493232060e-01 3.349738123800e-01 0.0 7.369044722340e-01 -5.680888689540e-01 5*0.0 -5.200460835950e-01 -5.483574263420e-01 0.0 -9.901062419770e-02 5.707618580550e-01
|
||||
5*0.0 8.863838980300e-01 3.492775991300e-01 0.0 7.186205313390e-01 -5.639901619470e-01 5*0.0 -5.133415502800e-01 -5.475464172820e-01 0.0 -9.528746832180e-02 5.696253453130e-01
|
||||
5*0.0 8.720477323390e-01 3.625295626230e-01 0.0 6.990696967090e-01 -5.609046585610e-01 5*0.0 -5.062318253770e-01 -5.466032557020e-01 0.0 -9.126737498530e-02 5.685143662110e-01
|
||||
5*0.0 8.561115631760e-01 3.747655753830e-01 0.0 6.784039154370e-01 -5.587697164960e-01 5*0.0 -4.987292002920e-01 -5.455278768190e-01 0.0 -8.696421683500e-02 5.674277812630e-01
|
||||
5*0.0 8.387380418620e-01 3.860220621250e-01 0.0 6.567677325400e-01 -5.575187109900e-01 5*0.0 -4.908467285770e-01 -5.443205239460e-01 0.0 -8.239224154060e-02 5.663638952600e-01
|
||||
5*0.0 8.200816323510e-01 3.963357471300e-01 0.0 6.342980932560e-01 -5.570825200470e-01 5*0.0 -4.825981271080e-01 -5.429817292350e-01 0.0 -7.756599023350e-02 5.653205208940e-01
|
||||
5*0.0 8.002886027140e-01 4.057434335940e-01 0.0 6.111242483920e-01 -5.573907741840e-01 5*0.0 -4.739976831920e-01 -5.415122948590e-01 0.0 -7.250022135190e-02 5.642950402640e-01
|
||||
5*0.0 7.794970874560e-01 4.142818131110e-01 0.0 5.873677498710e-01 -5.583728864430e-01 5*0.0 -4.650601674980e-01 -5.399132747060e-01 0.0 -6.720983980820e-02 5.632844639180e-01
|
||||
5*0.0 7.578372017270e-01 4.219873020420e-01 0.0 5.631425112080e-01 -5.599589087950e-01 5*0.0 -4.558007527120e-01 -5.381859566410e-01 0.0 -6.170983137310e-02 5.622854870610e-01
|
||||
5*0.0 7.354312085070e-01 4.288959018580e-01 0.0 5.385549307910e-01 -5.620802190730e-01 5*0.0 -4.462349377760e-01 -5.363318453410e-01 0.0 -5.601520213460e-02 5.612945427530e-01
|
||||
5*0.0 7.123937132850e-01 4.350430811130e-01 0.0 5.137040577320e-01 -5.646700768180e-01 5*0.0 -4.363784774970e-01 -5.343526457730e-01 0.0 -5.014092285340e-02 5.603078519160e-01
|
||||
5*0.0 6.888318907830e-01 4.404636757900e-01 0.0 4.886817957430e-01 -5.676640574920e-01 5*0.0 -4.262473173220e-01 -5.322502473050e-01 0.0 -4.410187804770e-02 5.593214700860e-01
|
||||
5*0.0 6.648457352290e-01 4.451918061110e-01 0.0 4.635731349840e-01 -5.710003888060e-01 5*0.0 -4.158575330840e-01 -5.300267084590e-01 0.0 -3.791281959280e-02 5.583313308810e-01
|
||||
5*0.0 6.405283189570e-01 4.492608085520e-01 0.0 4.384564042210e-01 -5.746201956980e-01 5*0.0 -4.052252754380e-01 -5.276842423400e-01 0.0 -3.158832463800e-02 5.573332861780e-01
|
||||
5*0.0 6.159660664060e-01 4.527031808330e-01 0.0 4.134035386490e-01 -5.784676814610e-01 5*0.0 -3.943667187720e-01 -5.252252027130e-01 0.0 -2.514275762430e-02 5.563231430740e-01
|
||||
5*0.0 5.912390312940e-01 4.555505380190e-01 0.0 3.884803582330e-01 -5.824902380260e-01 5*0.0 -3.832980143850e-01 -5.226520707250e-01 0.0 -1.859023620730e-02 5.552966976720e-01
|
||||
5*0.0 5.664211795180e-01 4.578335788650e-01 0.0 3.637468520060e-01 -5.866385144030e-01 5*0.0 -3.720352475950e-01 -5.199674422870e-01 0.0 -1.194460083610e-02 5.542497658140e-01
|
||||
5*0.0 5.415806667730e-01 4.595820613960e-01 0.0 3.392574640180e-01 -5.908664359310e-01 5*0.0 -3.605943986400e-01 -5.171740160810e-01 0.0 -5.219387814500e-03 5.531782108500e-01
|
||||
5*0.0 5.167801218810e-01 4.608247852480e-01 0.0 3.150613813700e-01 -5.951311924970e-01 5*0.0 -3.489913071090e-01 -5.142745821760e-01 0.0 1.572194376350e-03 5.520779685890e-01
|
||||
5*0.0 4.920769231060e-01 4.615895810660e-01 0.0 2.912028188810e-01 -5.993931962780e-01 5*0.0 -3.372416396050e-01 -5.112720112660e-01 0.0 8.417285705130e-03 5.509450695580e-01
|
||||
5*0.0 4.675234668940e-01 4.619033066380e-01 0.0 2.677212992030e-01 -6.036160181550e-01 5*0.0 -3.253608606220e-01 -5.081692444790e-01 0.0 1.530339238620e-02 5.497756586370e-01
|
||||
5*0.0 4.431674384000e-01 4.617918459880e-01 0.0 2.446519288430e-01 -6.077663039390e-01 5*0.0 -3.133642061100e-01 -5.049692837470e-01 0.0 2.221840192810e-02 5.485660124120e-01
|
||||
5*0.0 4.190520656150e-01 4.612801154960e-01 0.0 2.220256660170e-01 -6.118136775640e-01 5*0.0 -3.012666598740e-01 -5.016751827390e-01 0.0 2.915059578610e-02 5.473125541240e-01
|
||||
5*0.0 3.952163771280e-01 4.603920708270e-01 0.0 1.998695823100e-01 -6.157306303870e-01 5*0.0 -2.890829323860e-01 -4.982900383110e-01 0.0 3.608865965220e-02 5.460118665500e-01
|
||||
5*0.0 3.716954429340e-01 4.591507199900e-01 0.0 1.782071139620e-01 -6.194924078860e-01 5*0.0 -2.768274419650e-01 -4.948169824460e-01 0.0 4.302169162540e-02 5.446607028730e-01
|
||||
5*0.0 3.485206114210e-01 4.575781367320e-01 0.0 1.570583084040e-01 -6.230768815070e-01 5*0.0 -2.645142980510e-01 -4.912591747080e-01 0.0 4.993920839970e-02 5.432559957300e-01
|
||||
5*0.0 3.257197404510e-01 4.556954774220e-01 0.0 1.364400564090e-01 -6.264644268430e-01 5*0.0 -2.521572865010e-01 -4.876197951400e-01 0.0 5.683114963450e-02 5.417948644920e-01
|
||||
5*0.0 3.033174154240e-01 4.535229996060e-01 0.0 1.163663191580e-01 -6.296377895990e-01 5*0.0 -2.397698567680e-01 -4.839020376010e-01 0.0 6.368788063220e-02 5.402746210230e-01
|
||||
5*0.0 2.813351603290e-01 4.510800824210e-01 0.0 9.684834218450e-02 -6.325819598300e-01 5*0.0 -2.273651107090e-01 -4.801091035510e-01 0.0 7.050019349910e-02 5.386927739190e-01
|
||||
5*0.0 2.597916436600e-01 4.483852473420e-01 0.0 7.789486477100e-02 -6.352840378800e-01 5*0.0 -2.149557930840e-01 -4.762441962050e-01 0.0 7.725930687960e-02 5.370470314510e-01
|
||||
5*0.0 2.387028712140e-01 4.454561814760e-01 0.0 5.951231233460e-02 -6.377331090580e-01 5*0.0 -2.025542834300e-01 -4.723105151080e-01 0.0 8.395686442550e-02 5.353353032560e-01
|
||||
5*0.0 2.180823731200e-01 4.423097599250e-01 0.0 4.170498768130e-02 -6.399201136010e-01 5*0.0 -1.901725893730e-01 -4.683112510440e-01 0.0 9.058493207530e-02 5.335557009280e-01
|
||||
5*0.0 1.979413820420e-01 4.389620706220e-01 0.0 2.447524485610e-02 -6.418377263100e-01 5*0.0 -1.778223411260e-01 -4.642495813170e-01 0.0 9.713599431110e-02 5.317065376070e-01
|
||||
5*0.0 1.782890031620e-01 4.354284378750e-01 0.0 7.823659803650e-03 -6.434802343290e-01 5*0.0 -1.655147871940e-01 -4.601286653520e-01 0.0 1.036029494380e-01 5.297863266300e-01
|
||||
5*0.0 1.591323746820e-01 4.317234476000e-01 0.0 -8.250811950880e-03 -6.448434191130e-01 5*0.0 -1.532607911630e-01 -4.559516406040e-01 0.0 1.099791040090e-01 5.277937793930e-01
|
||||
5*0.0 1.404768254130e-01 4.278609710520e-01 0.0 -2.375068447180e-02 -6.459244449110e-01 5*0.0 -1.410708294240e-01 -4.517216187860e-01 0.0 1.162581665240e-01 5.257278024500e-01
|
||||
5*0.0 1.223260150900e-01 4.238541910390e-01 0.0 -3.867980001960e-02 -6.467217484070e-01 5*0.0 -1.289549898840e-01 -4.474416823530e-01 0.0 1.224342403890e-01 5.235874940050e-01
|
||||
5*0.0 1.046820782760e-01 4.197156252320e-01 0.0 -5.304319677360e-02 -6.472349367380e-01 5*0.0 -1.169229714790e-01 -4.431148812780e-01 0.0 1.285018163350e-01 5.213721397820e-01
|
||||
5*0.0 8.754575180480e-02 4.154571514160e-01 0.0 -6.684698300840e-02 -6.474646848030e-01 5*0.0 -1.049840844820e-01 -4.387442300680e-01 0.0 1.344557642830e-01 5.190812084320e-01
|
||||
5*0.0 7.091649981520e-02 4.110900315850e-01 0.0 -8.009822156240e-02 -6.474126423620e-01 5*0.0 -9.314725152670e-02 -4.343327050270e-01 0.0 1.402913247710e-01 5.167143464890e-01
|
||||
5*0.0 5.479263044490e-02 4.066249356120e-01 0.0 -9.280481947750e-02 -6.470813418500e-01 5*0.0 -8.142100932120e-02 -4.298832417450e-01 0.0 1.460040999740e-01 5.142713729470e-01
|
||||
5*0.0 3.917140464380e-02 4.020719651770e-01 0.0 -1.049754272630e-01 -6.464741142140e-01 5*0.0 -6.981351094460e-02 -4.253987328010e-01 0.0 1.515900444130e-01 5.117522735450e-01
|
||||
5*0.0 2.404914078580e-02 3.974406765220e-01 0.0 -1.166193434720e-01 -6.455950062230e-01 5*0.0 -5.833252872930e-02 -4.208820256780e-01 0.0 1.570454553750e-01 5.091571947470e-01
|
||||
5*0.0 9.421310841840e-03 3.927401030760e-01 0.0 -1.277464269880e-01 -6.444487045210e-01 5*0.0 -4.698545764980e-02 -4.163359208630e-01 0.0 1.623669631230e-01 5.064864375600e-01
|
||||
5*0.0 -4.717371095100e-03 3.879787780270e-01 0.0 -1.383670155350e-01 -6.430404638400e-01 5*0.0 -3.577931921180e-02 -4.117631701370e-01 0.0 1.675515209170e-01 5.037404511350e-01
|
||||
5*0.0 -1.837286131820e-02 3.831647552400e-01 0.0 -1.484918505180e-01 -6.413760387380e-01 5*0.0 -2.472076575960e-02 -4.071664750290e-01 0.0 1.725963949070e-01 5.009198262690e-01
|
||||
5*0.0 -3.155170825150e-02 3.783056305340e-01 0.0 -1.581320074070e-01 -6.394616208940e-01 5*0.0 -1.381608518900e-02 -4.025484854480e-01 0.0 1.774991539430e-01 4.980252888080e-01
|
||||
5*0.0 -4.426098130570e-02 3.734085622030e-01 0.0 -1.672988322770e-01 -6.373037791190e-01 5*0.0 -3.071206043450e-03 -3.979117984570e-01 0.0 1.822576593080e-01 4.950576929810e-01
|
||||
5*0.0 -5.650820223910e-02 3.684802909810e-01 0.0 -1.760038830220e-01 -6.349094056690e-01 5*0.0 7.508297058530e-03 -3.932589571970e-01 0.0 1.868700544510e-01 4.920180147280e-01
|
||||
5*0.0 -6.830127819770e-02 3.635271582710e-01 0.0 -1.842588751190e-01 -6.322856631330e-01 5*0.0 1.791719769730e-02 -3.885924499540e-01 0.0 1.913347547010e-01 4.889073450210e-01
|
||||
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|
||||
5*0.0 9.463954788270e-07 2.599892484470e-05 0.0 -8.674093407390e-05 -2.280073294360e-04 5*0.0 -1.287151427720e-04 -5.041185509770e-05 0.0 1.574594323010e-04 2.805402800510e-04
|
||||
|
||||
501
tests/DFTB/nonscc/sio-d
Normal file
501
tests/DFTB/nonscc/sio-d
Normal file
|
|
@ -0,0 +1,501 @@
|
|||
0.02, 500,
|
||||
0.0, -0.0293907 0.0475524 -0.00350519 -0.00170369 0.00590998 3*0.0, 4.14, 3.8, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 5.990768235400e-01 -1.284137807830e-01 0.0 6.565937850550e-01 -7.874870903800e-01 5*0.0 -5.651179425950e-01 -5.427871956800e-01 0.0 -1.043164746850e-01 5.920057941600e-01
|
||||
5*0.0 6.513682868900e-01 -9.250691005180e-02 0.0 6.888956471700e-01 -7.775875792420e-01 5*0.0 -5.662173252500e-01 -5.438781042470e-01 0.0 -1.072730792460e-01 5.911791800360e-01
|
||||
5*0.0 6.987644887340e-01 -5.759869858550e-02 0.0 7.175138726110e-01 -7.651641623450e-01 5*0.0 -5.669606969850e-01 -5.449118118460e-01 0.0 -1.098656663920e-01 5.902487343830e-01
|
||||
5*0.0 7.412968003260e-01 -2.377121364630e-02 0.0 7.424060502570e-01 -7.509320694460e-01 5*0.0 -5.673253212220e-01 -5.458797957070e-01 0.0 -1.120833076130e-01 5.892287670600e-01
|
||||
5*0.0 7.790400224150e-01 8.909394486120e-03 0.0 7.635789547590e-01 -7.355075443020e-01 5*0.0 -5.672914039370e-01 -5.467740676620e-01 0.0 -1.139172860350e-01 5.881333135520e-01
|
||||
5*0.0 8.121049121730e-01 4.039129448880e-02 0.0 7.810809074260e-01 -7.194149932660e-01 5*0.0 -5.668420270630e-01 -5.475871836640e-01 0.0 -1.153610490210e-01 5.869758876280e-01
|
||||
5*0.0 8.406314871400e-01 7.063547172170e-02 0.0 7.949948039190e-01 -7.030947679350e-01 5*0.0 -5.659630613760e-01 -5.483122481500e-01 0.0 -1.164101398150e-01 5.857692874350e-01
|
||||
5*0.0 8.647830725530e-01 9.961432620530e-02 0.0 8.054318182910e-01 -6.869111841850e-01 5*0.0 -5.646430628380e-01 -5.489429138850e-01 0.0 -1.170621124830e-01 5.845254487060e-01
|
||||
5*0.0 8.847410558270e-01 1.273103710000e-01 0.0 8.125257657360e-01 -6.711605157050e-01 5*0.0 -5.628731558910e-01 -5.494733778940e-01 0.0 -1.173164339130e-01 5.832553383900e-01
|
||||
5*0.0 9.007002896750e-01 1.537150307870e-01 0.0 8.164281109860e-01 -6.560787018670e-01 5*0.0 -5.606469070840e-01 -5.498983740370e-01 0.0 -1.171743761640e-01 5.819688842040e-01
|
||||
5*0.0 9.128651131270e-01 1.788275365830e-01 0.0 8.173035794950e-01 -6.418487075080e-01 5*0.0 -5.579601915190e-01 -5.502131627380e-01 0.0 -1.166389020220e-01 5.806749331900e-01
|
||||
5*0.0 9.214459204150e-01 2.026539167030e-01 0.0 8.153263348530e-01 -6.286073893400e-01 5*0.0 -5.548110547540e-01 -5.504135182950e-01 0.0 -1.157145461970e-01 5.793812355540e-01
|
||||
5*0.0 9.266562415460e-01 2.252060762840e-01 0.0 8.106766825840e-01 -6.164518342490e-01 5*0.0 -5.511995721750e-01 -5.504957142310e-01 0.0 -1.144072942280e-01 5.780944490610e-01
|
||||
5*0.0 9.287102748160e-01 2.465009642210e-01 0.0 8.035382495310e-01 -6.054451540450e-01 5*0.0 -5.471277076470e-01 -5.504565070150e-01 0.0 -1.127244608600e-01 5.768201602000e-01
|
||||
5*0.0 9.278208270960e-01 2.665598195620e-01 0.0 7.940955993850e-01 -5.956216921890e-01 5*0.0 -5.425991729140e-01 -5.502931185130e-01 0.0 -1.106745692930e-01 5.755629186340e-01
|
||||
5*0.0 9.241976215590e-01 2.854074935210e-01 0.0 7.825322370320e-01 -5.869917428540e-01 5*0.0 -5.376192891300e-01 -5.500032174640e-01 0.0 -1.082672325330e-01 5.743262822970e-01
|
||||
5*0.0 9.180459165790e-01 3.030718425420e-01 0.0 7.690289572000e-01 -5.795456912460e-01 5*0.0 -5.321948514140e-01 -5.495849002260e-01 0.0 -1.055130377340e-01 5.731128702160e-01
|
||||
5*0.0 9.095654008100e-01 3.195831865970e-01 0.0 7.537625012610e-01 -5.732576925180e-01 5*0.0 -5.263339973690e-01 -5.490366710400e-01 0.0 -1.024234343470e-01 5.719244211480e-01
|
||||
5*0.0 8.989493393000e-01 3.349738254450e-01 0.0 7.369044824060e-01 -5.680888836270e-01 5*0.0 -5.200460802050e-01 -5.483574220100e-01 0.0 -9.901062659730e-02 5.707618561310e-01
|
||||
5*0.0 8.863839139480e-01 3.492776122700e-01 0.0 7.186205413620e-01 -5.639901765050e-01 5*0.0 -5.133415469410e-01 -5.475464129740e-01 0.0 -9.528747074420e-02 5.696253433860e-01
|
||||
5*0.0 8.720477480530e-01 3.625295758300e-01 0.0 6.990697065600e-01 -5.609046730120e-01 5*0.0 -5.062318220890e-01 -5.466032514190e-01 0.0 -9.126737742830e-02 5.685143642820e-01
|
||||
5*0.0 8.561115786600e-01 3.747655886480e-01 0.0 6.784039250960e-01 -5.587697308490e-01 5*0.0 -4.987291970530e-01 -5.455278725610e-01 0.0 -8.696421929640e-02 5.674277793320e-01
|
||||
5*0.0 8.387380570930e-01 3.860220754400e-01 0.0 6.567677419880e-01 -5.575187252540e-01 5*0.0 -4.908467253870e-01 -5.443205197130e-01 0.0 -8.239224401850e-02 5.663638933280e-01
|
||||
5*0.0 8.200816473050e-01 3.963357604870e-01 0.0 6.342981024750e-01 -5.570825342300e-01 5*0.0 -4.825981239670e-01 -5.429817250270e-01 0.0 -7.756599272580e-02 5.653205189620e-01
|
||||
5*0.0 8.002886173710e-01 4.057434469830e-01 0.0 6.111242573640e-01 -5.573907882950e-01 5*0.0 -4.739976801000e-01 -5.415122906750e-01 0.0 -7.250022385670e-02 5.642950383320e-01
|
||||
5*0.0 7.794971017990e-01 4.142818265250e-01 0.0 5.873677585810e-01 -5.583729004890e-01 5*0.0 -4.650601644530e-01 -5.399132705480e-01 0.0 -6.720984232370e-02 5.632844619880e-01
|
||||
5*0.0 7.578372157380e-01 4.219873154730e-01 0.0 5.631425196430e-01 -5.599589227850e-01 5*0.0 -4.558007497140e-01 -5.381859525070e-01 0.0 -6.170983389760e-02 5.622854851330e-01
|
||||
5*0.0 7.354312221720e-01 4.288959152980e-01 0.0 5.385549389360e-01 -5.620802330130e-01 5*0.0 -4.462349348250e-01 -5.363318412310e-01 0.0 -5.601520466630e-02 5.612945408270e-01
|
||||
5*0.0 7.123937265890e-01 4.350430945540e-01 0.0 5.137040655770e-01 -5.646700907140e-01 5*0.0 -4.363784745920e-01 -5.343526416890e-01 0.0 -5.014092539070e-02 5.603078499940e-01
|
||||
5*0.0 6.888319037140e-01 4.404636892240e-01 0.0 4.886818032780e-01 -5.676640713510e-01 5*0.0 -4.262473144630e-01 -5.322502432450e-01 0.0 -4.410188058910e-02 5.593214681690e-01
|
||||
5*0.0 6.648457477780e-01 4.451918195320e-01 0.0 4.635731421990e-01 -5.710004026340e-01 5*0.0 -4.158575302710e-01 -5.300267044230e-01 0.0 -3.791282213680e-02 5.583313289680e-01
|
||||
5*0.0 6.405283311130e-01 4.492608219510e-01 0.0 4.384564111090e-01 -5.746202095000e-01 5*0.0 -4.052252726700e-01 -5.276842383290e-01 0.0 -3.158832718320e-02 5.573332842700e-01
|
||||
5*0.0 6.159660781620e-01 4.527031942050e-01 0.0 4.134035452040e-01 -5.784676952410e-01 5*0.0 -3.943667160490e-01 -5.252251987260e-01 0.0 -2.514276016960e-02 5.563231411730e-01
|
||||
5*0.0 5.912390426420e-01 4.555505513560e-01 0.0 3.884803644480e-01 -5.824902517900e-01 5*0.0 -3.832980117060e-01 -5.226520667620e-01 0.0 -1.859023875130e-02 5.552966957780e-01
|
||||
5*0.0 5.664211904520e-01 4.578335921620e-01 0.0 3.637468578770e-01 -5.866385281520e-01 5*0.0 -3.720352449600e-01 -5.199674383490e-01 0.0 -1.194460337780e-02 5.542497639280e-01
|
||||
5*0.0 5.415806772880e-01 4.595820746450e-01 0.0 3.392574695420e-01 -5.908664496700e-01 5*0.0 -3.605943960500e-01 -5.171740121670e-01 0.0 -5.219390352770e-03 5.531782089720e-01
|
||||
5*0.0 5.167801319740e-01 4.608247984450e-01 0.0 3.150613865440e-01 -5.951312062280e-01 5*0.0 -3.489913045630e-01 -5.142745782860e-01 0.0 1.572191842440e-03 5.520779667200e-01
|
||||
5*0.0 4.920769327720e-01 4.615895942050e-01 0.0 2.912028237030e-01 -5.993932100030e-01 5*0.0 -3.372416371030e-01 -5.112720073990e-01 0.0 8.417283176470e-03 5.509450676970e-01
|
||||
5*0.0 4.675234760850e-01 4.619033197250e-01 0.0 2.677213036660e-01 -6.036160318590e-01 5*0.0 -3.253608581630e-01 -5.081692406360e-01 0.0 1.530338986360e-02 5.497756567860e-01
|
||||
5*0.0 4.431674472060e-01 4.617918589950e-01 0.0 2.446519329590e-01 -6.077663176590e-01 5*0.0 -3.133642036950e-01 -5.049692799280e-01 0.0 2.221839941230e-02 5.485660105710e-01
|
||||
5*0.0 4.190520739880e-01 4.612801284290e-01 0.0 2.220256697800e-01 -6.118136912820e-01 5*0.0 -3.012666575030e-01 -5.016751789450e-01 0.0 2.915059327770e-02 5.473125522940e-01
|
||||
5*0.0 3.952163850670e-01 4.603920836820e-01 0.0 1.998695857220e-01 -6.157306441040e-01 5*0.0 -2.890829300590e-01 -4.982900345390e-01 0.0 3.608865715190e-02 5.460118647310e-01
|
||||
5*0.0 3.716954504390e-01 4.591507327620e-01 0.0 1.782071170240e-01 -6.194924216030e-01 5*0.0 -2.768274396810e-01 -4.948169786990e-01 0.0 4.302168913370e-02 5.446607010650e-01
|
||||
5*0.0 3.485206184910e-01 4.575781494170e-01 0.0 1.570583111190e-01 -6.230768952240e-01 5*0.0 -2.645142958110e-01 -4.912591709840e-01 0.0 4.993920591710e-02 5.432559939340e-01
|
||||
5*0.0 3.257197470860e-01 4.556954900160e-01 0.0 1.364400587800e-01 -6.264644405580e-01 5*0.0 -2.521572843050e-01 -4.876197914400e-01 0.0 5.683114716140e-02 5.417948627080e-01
|
||||
5*0.0 3.033174216270e-01 4.535230121050e-01 0.0 1.163663211880e-01 -6.296378033140e-01 5*0.0 -2.397698546160e-01 -4.839020339240e-01 0.0 6.368787816880e-02 5.402746192520e-01
|
||||
5*0.0 2.813351660990e-01 4.510800948210e-01 0.0 9.684834387680e-02 -6.325819735420e-01 5*0.0 -2.273651086010e-01 -4.801090998970e-01 0.0 7.050019104580e-02 5.386927721610e-01
|
||||
5*0.0 2.597916490000e-01 4.483852596400e-01 0.0 7.789486613030e-02 -6.352840515880e-01 5*0.0 -2.149557910200e-01 -4.762441925750e-01 0.0 7.725930443660e-02 5.370470297060e-01
|
||||
5*0.0 2.387028761250e-01 4.454561936680e-01 0.0 5.951231336540e-02 -6.377331227620e-01 5*0.0 -2.025542814100e-01 -4.723105115020e-01 0.0 8.395686199300e-02 5.353353015240e-01
|
||||
5*0.0 2.180823776050e-01 4.423097720080e-01 0.0 4.170498838860e-02 -6.399201272980e-01 5*0.0 -1.901725873970e-01 -4.683112474610e-01 0.0 9.058492965340e-02 5.335556992100e-01
|
||||
5*0.0 1.979413861030e-01 4.389620825940e-01 0.0 2.447524524510e-02 -6.418377400000e-01 5*0.0 -1.778223391950e-01 -4.642495777570e-01 0.0 9.713599189980e-02 5.317065359020e-01
|
||||
5*0.0 1.782890068020e-01 4.354284497330e-01 0.0 7.823659880050e-03 -6.434802480080e-01 5*0.0 -1.655147853080e-01 -4.601286618150e-01 0.0 1.036029470370e-01 5.297863249380e-01
|
||||
5*0.0 1.591323779050e-01 4.317234593410e-01 0.0 -8.250812181180e-03 -6.448434327800e-01 5*0.0 -1.532607893210e-01 -4.559516370910e-01 0.0 1.099791016190e-01 5.277937777150e-01
|
||||
5*0.0 1.404768282220e-01 4.278609826730e-01 0.0 -2.375068500280e-02 -6.459244585630e-01 5*0.0 -1.410708276270e-01 -4.517216152950e-01 0.0 1.162581641450e-01 5.257278007860e-01
|
||||
5*0.0 1.223260174890e-01 4.238542025380e-01 0.0 -3.867980084480e-02 -6.467217620420e-01 5*0.0 -1.289549881330e-01 -4.474416788860e-01 0.0 1.224342380210e-01 5.235874923550e-01
|
||||
5*0.0 1.046820802690e-01 4.197156366080e-01 0.0 -5.304319788640e-02 -6.472349503530e-01 5*0.0 -1.169229697740e-01 -4.431148778340e-01 0.0 1.285018139770e-01 5.213721381470e-01
|
||||
5*0.0 8.754575339670e-02 4.154571626650e-01 0.0 -6.684698440190e-02 -6.474646983950e-01 5*0.0 -1.049840828220e-01 -4.387442266470e-01 0.0 1.344557619350e-01 5.190812068110e-01
|
||||
5*0.0 7.091650101060e-02 4.110900427070e-01 0.0 -8.009822322960e-02 -6.474126559280e-01 5*0.0 -9.314724991280e-02 -4.343327016300e-01 0.0 1.402913224330e-01 5.167143448820e-01
|
||||
5*0.0 5.479263124880e-02 4.066249466030e-01 0.0 -9.280482141120e-02 -6.470813553870e-01 5*0.0 -8.142100775340e-02 -4.298832383700e-01 0.0 1.460040976460e-01 5.142713713540e-01
|
||||
5*0.0 3.917140506160e-02 4.020719760370e-01 0.0 -1.049754294560e-01 -6.464741277190e-01 5*0.0 -6.981350942330e-02 -4.253987294490e-01 0.0 1.515900420930e-01 5.117522719660e-01
|
||||
5*0.0 2.404914082310e-02 3.974406872490e-01 0.0 -1.166193459170e-01 -6.455950196930e-01 5*0.0 -5.833252725470e-02 -4.208820223490e-01 0.0 1.570454530650e-01 5.091571931810e-01
|
||||
5*0.0 9.421310504700e-03 3.927401136690e-01 0.0 -1.277464296770e-01 -6.444487179530e-01 5*0.0 -4.698545622220e-02 -4.163359175580e-01 0.0 1.623669608220e-01 5.064864360080e-01
|
||||
5*0.0 -4.717371800570e-03 3.879787884850e-01 0.0 -1.383670184600e-01 -6.430404772300e-01 5*0.0 -3.577931783140e-02 -4.117631668550e-01 0.0 1.675515186240e-01 5.037404495970e-01
|
||||
5*0.0 -1.837286238550e-02 3.831647655600e-01 0.0 -1.484918536720e-01 -6.413760520820e-01 5*0.0 -2.472076442660e-02 -4.071664717700e-01 0.0 1.725963926230e-01 5.009198247450e-01
|
||||
5*0.0 -3.155170967390e-02 3.783056407170e-01 0.0 -1.581320107810e-01 -6.394616341900e-01 5*0.0 -1.381608390380e-02 -4.025484822120e-01 0.0 1.774991516660e-01 4.980252872970e-01
|
||||
5*0.0 -4.426098307630e-02 3.734085722470e-01 0.0 -1.672988358640e-01 -6.373037923620e-01 5*0.0 -3.071204806230e-03 -3.979117952450e-01 0.0 1.822576570390e-01 4.950576914830e-01
|
||||
5*0.0 -5.650820435070e-02 3.684803008860e-01 0.0 -1.760038868130e-01 -6.349094188570e-01 5*0.0 7.508298247460e-03 -3.932589540080e-01 0.0 1.868700521880e-01 4.920180132430e-01
|
||||
5*0.0 -6.830128064290e-02 3.635271680360e-01 0.0 -1.842588791070e-01 -6.322856762620e-01 5*0.0 1.791719883760e-02 -3.885924467880e-01 0.0 1.913347524450e-01 4.889073435490e-01
|
||||
5*0.0 -7.964845325990e-02 3.585551357810e-01 0.0 -1.920756389440e-01 -6.294399518860e-01 5*0.0 2.815061273910e-02 -3.839147062080e-01 0.0 1.956504348020e-01 4.857268817430e-01
|
||||
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|
||||
5*0.0 -4.107779287630e-07 2.605531828260e-05 0.0 -8.686212321690e-05 -2.303481496420e-04 5*0.0 -1.350721382330e-04 -5.023316070310e-05 0.0 1.554995125990e-04 2.833219445040e-04
|
||||
5*0.0 9.464022637370e-07 2.599892591370e-05 0.0 -8.674093692930e-05 -2.280073391400e-04 5*0.0 -1.287151420680e-04 -5.041185448880e-05 0.0 1.574594303970e-04 2.805402885040e-04
|
||||
5*0.0 2.113645040710e-06 2.594553415440e-05 0.0 -8.665782658580e-05 -2.256562910400e-04 5*0.0 -1.223303423260e-04 -5.057585654280e-05 0.0 1.593681355030e-04 2.777232119300e-04
|
||||
5*0.0 3.099115829580e-06 2.589471856120e-05 0.0 -8.660998985670e-05 -2.232947445280e-04 5*0.0 -1.159241042030e-04 -5.072520924700e-05 0.0 1.612247521330e-04 2.748716591710e-04
|
||||
5*0.0 3.910742844690e-06 2.584607597900e-05 0.0 -8.659473206430e-05 -2.209224884180e-04 5*0.0 -1.095025414820e-04 -5.085996825360e-05 0.0 1.630284892760e-04 2.719865908150e-04
|
||||
5*0.0 4.556226527780e-06 2.579922331780e-05 0.0 -8.660946654430e-05 -2.185393589000e-04 5*0.0 -1.030715230180e-04 -5.098020168980e-05 0.0 1.647786378840e-04 2.690689820250e-04
|
||||
5*0.0 5.043039779020e-06 2.575379762010e-05 0.0 -8.665170698990e-05 -2.161452373000e-04 5*0.0 -9.663668066170e-05 -5.108598955640e-05 0.0 1.664745672380e-04 2.661198210860e-04
|
||||
5*0.0 5.378437312380e-06 2.570945478980e-05 0.0 -8.671906992600e-05 -2.137400479590e-04 5*0.0 -9.020341468860e-05 -5.117742304100e-05 0.0 1.681157223330e-04 2.631401078770e-04
|
||||
5*0.0 5.569456832800e-06 2.566586911460e-05 0.0 -8.680926635350e-05 -2.113237561350e-04 5*0.0 -8.377690043170e-05 -5.125460400810e-05 0.0 1.697016205950e-04 2.601308525130e-04
|
||||
5*0.0 5.622928016740e-06 2.562273253750e-05 0.0 -8.692010471590e-05 -2.088963660540e-04 5*0.0 -7.736209554670e-05 -5.131764424510e-05 0.0 1.712318491470e-04 2.570930739800e-04
|
||||
5*0.0 5.545472988840e-06 2.557975421610e-05 0.0 -8.704948194050e-05 -2.064579189750e-04 5*0.0 -7.096374477660e-05 -5.136666509830e-05 0.0 1.727060619620e-04 2.540277988380e-04
|
||||
5*0.0 5.343514303400e-06 2.553665967540e-05 0.0 -8.719538559430e-05 -2.040084911920e-04 5*0.0 -6.458638715320e-05 -5.140179671740e-05 0.0 1.741239770920e-04 2.509360599880e-04
|
||||
5*0.0 5.023277698010e-06 2.549319035070e-05 0.0 -8.735588856650e-05 -2.015481924520e-04 5*0.0 -5.823436135010e-05 -5.142317768990e-05 0.0 1.754853740300e-04 2.478188954790e-04
|
||||
5*0.0 4.590798112830e-06 2.544910279770e-05 0.0 -8.752914777200e-05 -1.990771638760e-04 5*0.0 -5.191181144640e-05 -5.143095440770e-05 0.0 1.767900912360e-04 2.446773473470e-04
|
||||
5*0.0 4.051922992490e-06 2.540416852840e-05 0.0 -8.771340187140e-05 -1.965955766240e-04 5*0.0 -4.562269264980e-05 -5.142528068620e-05 0.0 1.780380235270e-04 2.415124605520e-04
|
||||
5*0.0 3.412316462220e-06 2.535817304010e-05 0.0 -8.790696659260e-05 -1.941036299310e-04 5*0.0 -3.937077689070e-05 -5.140631720710e-05 0.0 1.792291196980e-04 2.383252819030e-04
|
||||
5*0.0 2.677465887590e-06 2.531091545030e-05 0.0 -8.810823513030e-05 -1.916015497400e-04 5*0.0 -3.315965836000e-05 -5.137423109400e-05 0.0 1.803633801440e-04 2.351168590710e-04
|
||||
5*0.0 1.852682553930e-06 2.526220813550e-05 0.0 -8.831567448530e-05 -1.890895870260e-04 5*0.0 -2.699275799400e-05 -5.132919547430e-05 0.0 1.814408546510e-04 2.318882396190e-04
|
||||
5*0.0 9.431090277670e-07 2.521187595220e-05 0.0 -8.852782262350e-05 -1.865680163650e-04 5*0.0 -2.087332967080e-05 -5.127138906800e-05 0.0 1.824616400710e-04 2.286404700890e-04
|
||||
5*0.0 -4.627892060480e-08 2.515975595140e-05 0.0 -8.874328697900e-05 -1.840371345470e-04 5*0.0 -1.480446451130e-05 -5.120099574340e-05 0.0 1.834258782760e-04 2.253745951300e-04
|
||||
5*0.0 -1.110666372100e-06 2.510569671440e-05 0.0 -8.896074296660e-05 -1.814972591010e-04 5*0.0 -8.789095934710e-06 -5.111820416090e-05 0.0 1.843337540570e-04 2.220916566530e-04
|
||||
5*0.0 -2.245397585650e-06 2.504955825130e-05 0.0 -8.917893002830e-05 -1.789487269930e-04 5*0.0 -2.830004628310e-06 -5.102320740050e-05 0.0 1.851854930460e-04 2.187926930450e-04
|
||||
5*0.0 -3.445970325960e-06 2.499121109040e-05 0.0 -8.939665112400e-05 -1.763918934110e-04 5*0.0 3.070177131710e-06 -5.091620256410e-05 0.0 1.859813598480e-04 2.154787383940e-04
|
||||
5*0.0 -4.708032629300e-06 2.493053620940e-05 0.0 -8.961277042750e-05 -1.738271303830e-04 5*0.0 8.908960494580e-06 -5.079739048980e-05 0.0 1.867216560610e-04 2.121508217840e-04
|
||||
5*0.0 -6.027379727430e-06 2.486742448140e-05 0.0 -8.982621027990e-05 -1.712548256740e-04 5*0.0 1.468399582040e-05 -5.066697532940e-05 0.0 1.874067184910e-04 2.088099665930e-04
|
||||
5*0.0 -7.399949083470e-06 2.480177620280e-05 0.0 -9.003595100930e-05 -1.686753816160e-04 5*0.0 2.039306837840e-05 -5.052516432560e-05 0.0 1.880369174390e-04 2.054571898430e-04
|
||||
5*0.0 -8.821818369220e-06 2.473350086180e-05 0.0 -9.024102742280e-05 -1.660892139380e-04 5*0.0 2.603409405290e-05 -5.037216743740e-05 0.0 1.886126548400e-04 2.020935015740e-04
|
||||
5*0.0 -1.028920076320e-05 2.466251665100e-05 0.0 -9.044052768760e-05 -1.634967507980e-04 5*0.0 3.160511511680e-05 -5.020819707800e-05 0.0 1.891343626760e-04 1.987199042690e-04
|
||||
5*0.0 -1.179844204100e-05 2.458875011530e-05 0.0 -9.063359227120e-05 -1.608984316240e-04 5*0.0 3.710429648110e-05 -5.003346781660e-05 0.0 1.896025013810e-04 1.953373922810e-04
|
||||
5*0.0 -1.334601735770e-05 2.451213583960e-05 0.0 -9.081941064190e-05 -1.582947061840e-04 5*0.0 4.252992123580e-05 -4.984819611890e-05 0.0 1.900175582620e-04 1.919469513120e-04
|
||||
5*0.0 -1.492852697980e-05 2.443261602150e-05 0.0 -9.099722087500e-05 -1.556860336530e-04 5*0.0 4.788038715630e-05 -4.965260007500e-05 0.0 1.903800459590e-04 1.885495579100e-04
|
||||
5*0.0 -1.654269485530e-05 2.435014020840e-05 0.0 -9.116630737840e-05 -1.530728816340e-04 5*0.0 5.315420338390e-05 -4.944689917020e-05 0.0 1.906905010420e-04 1.851461790050e-04
|
||||
5*0.0 -1.818536319190e-05 2.426466494830e-05 0.0 -9.132599957480e-05 -1.504557252870e-04 5*0.0 5.834998557200e-05 -4.923131402300e-05 0.0 1.909494825200e-04 1.817377714640e-04
|
||||
5*0.0 -1.985349172100e-05 2.417615351760e-05 0.0 -9.147566976460e-05 -1.478350465200e-04 5*0.0 6.346645381650e-05 -4.900606618830e-05 0.0 1.911575705850e-04 1.783252816640e-04
|
||||
5*0.0 -2.154415246620e-05 2.408457552600e-05 0.0 -9.161473254140e-05 -1.452113330810e-04 5*0.0 6.850242775070e-05 -4.877137789500e-05 0.0 1.913153651880e-04 1.749096451110e-04
|
||||
5*0.0 -2.325452808160e-05 2.398990670650e-05 0.0 -9.174264306090e-05 -1.425850778890e-04 5*0.0 7.345682430500e-05 -4.852747189470e-05 0.0 1.914234848940e-04 1.714917860650e-04
|
||||
5*0.0 -2.498190903630e-05 2.389212861680e-05 0.0 -9.185889430920e-05 -1.399567781630e-04 5*0.0 7.832865384750e-05 -4.827457122440e-05 0.0 1.914825654710e-04 1.680726172060e-04
|
||||
5*0.0 -2.672368964200e-05 2.379122834220e-05 0.0 -9.196301752470e-05 -1.373269347810e-04 5*0.0 8.311701693540e-05 -4.801289901210e-05 0.0 1.914932588670e-04 1.646530393000e-04
|
||||
5*0.0 -2.847736628530e-05 2.368719824850e-05 0.0 -9.205458016770e-05 -1.346960515840e-04 5*0.0 8.782110153130e-05 -4.774267833860e-05 0.0 1.914562319950e-04 1.612339409140e-04
|
||||
5*0.0 -3.024053429620e-05 2.358003572050e-05 0.0 -9.213318382240e-05 -1.320646346070e-04 5*0.0 9.244017938930e-05 -4.746413200820e-05 0.0 1.913721656380e-04 1.578161981260e-04
|
||||
5*0.0 -3.201088529850e-05 2.346974289990e-05 0.0 -9.219846406210e-05 -1.294331916170e-04 5*0.0 9.697360395680e-05 -4.717748245190e-05 0.0 1.912417533590e-04 1.544006742800e-04
|
||||
5*0.0 -3.378620434620e-05 2.335632646690e-05 0.0 -9.225008848890e-05 -1.268022313530e-04 5*0.0 1.014208064180e-04 -4.688295147820e-05 0.0 1.910657005210e-04 1.509882197400e-04
|
||||
5*0.0 -3.556436798580e-05 2.323979742730e-05 0.0 -9.228775550460e-05 -1.241722630260e-04 5*0.0 1.057812936670e-04 -4.658076022000e-05 0.0 1.908447232260e-04 1.475796716770e-04
|
||||
5*0.0 -3.734334094430e-05 2.312017084580e-05 0.0 -9.231119365550e-05 -1.215437957060e-04 5*0.0 1.100546452700e-04 -4.627112894120e-05 0.0 1.905795474430e-04 1.441758538700e-04
|
||||
502
tests/DFTB/nonscc/sisi
Normal file
502
tests/DFTB/nonscc/sisi
Normal file
|
|
@ -0,0 +1,502 @@
|
|||
0.02, 500,
|
||||
0.0 -0.1499 -0.3892, 0.0 0.0 0.0 0.0 0.0 2.0 2.0 T F
|
||||
28.086 0.203089 -0.572669 0.681471 -0.335877 0.061342 3*0.0 5.05, 5.5, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -1.129797830060e-01 -9.268103121990e-01 0.0 2.705900933940e-01 -1.028742782550e+00 5*0.0 8.688193220270e-01 9.504643788990e-01 0.0 -1.500113220940e-01 9.390006756040e-01
|
||||
5*0.0 -7.107931990480e-02 -8.870335994350e-01 0.0 2.988113466570e-01 -1.017582689030e+00 5*0.0 8.590851669000e-01 9.463448862310e-01 0.0 -1.569635942070e-01 9.343960114180e-01
|
||||
5*0.0 -3.535908958580e-02 -8.491102442700e-01 0.0 3.228294145800e-01 -1.006396924740e+00 5*0.0 8.493270728380e-01 9.421568168710e-01 0.0 -1.637283107450e-01 9.296691867680e-01
|
||||
5*0.0 -5.433815069670e-03 -8.130589417660e-01 0.0 3.427591884780e-01 -9.948394843010e-01 5*0.0 8.395619033330e-01 9.379084536670e-01 0.0 -1.702979973680e-01 9.248202290220e-01
|
||||
5*0.0 1.910503001940e-02 -7.788786919180e-01 0.0 3.587733797990e-01 -9.826660014710e-01 5*0.0 8.298032564980e-01 9.336073327290e-01 0.0 -1.766675151850e-01 9.198502234340e-01
|
||||
5*0.0 3.867839176300e-02 -7.465520317860e-01 0.0 3.710878780160e-01 -9.697171261000e-01 5*0.0 8.200617225390e-01 9.292602672850e-01 0.0 -1.828339001940e-01 9.147613272800e-01
|
||||
5*0.0 5.371072428630e-02 -7.160479022260e-01 0.0 3.799493054030e-01 -9.559034545330e-01 5*0.0 8.103451473790e-01 9.248733760660e-01 0.0 -1.887961871050e-01 9.095567434410e-01
|
||||
5*0.0 6.462273445840e-02 -6.873241733410e-01 0.0 3.856245445340e-01 -9.411920974120e-01 5*0.0 8.006588975460e-01 9.204521151840e-01 0.0 -1.945552239830e-01 9.042406631510e-01
|
||||
5*0.0 7.182560466400e-02 -6.603298644690e-01 0.0 3.883920312750e-01 -9.255948740490e-01 5*0.0 7.910061222110e-01 9.160013125990e-01 0.0 -2.001134829730e-01 8.988181865040e-01
|
||||
5*0.0 7.571648578640e-02 -6.350070785510e-01 0.0 3.885345979840e-01 -9.091580728450e-01 5*0.0 7.813880090920e-01 9.115252043960e-01 0.0 -2.054748712890e-01 8.932952272310e-01
|
||||
5*0.0 7.667509433170e-02 -6.112926814440e-01 0.0 3.863336969250e-01 -8.919536822670e-01 5*0.0 7.718040314280e-01 9.070274721950e-01 0.0 -2.106445458200e-01 8.876784082860e-01
|
||||
5*0.0 7.506126941110e-02 -5.891197523410e-01 0.0 3.820648126800e-01 -8.740719732550e-01 5*0.0 7.622521839350e-01 9.025112811070e-01 0.0 -2.156287338890e-01 8.819749524860e-01
|
||||
5*0.0 7.121331830170e-02 -5.684188237530e-01 0.0 3.759939127830e-01 -8.556153110170e-01 5*0.0 7.527292060820e-01 8.979793177660e-01 0.0 -2.204345621390e-01 8.761925721920e-01
|
||||
5*0.0 6.544703571020e-02 -5.491189355210e-01 0.0 3.683747812910e-01 -8.366930614440e-01 5*0.0 7.432307914900e-01 8.934338279910e-01 0.0 -2.250698949470e-01 8.703393609360e-01
|
||||
5*0.0 5.805528492970e-02 -5.311485252640e-01 0.0 3.594471075020e-01 -8.174174691510e-01 5*0.0 7.337517826730e-01 8.888766537510e-01 0.0 -2.295431833420e-01 8.644236892180e-01
|
||||
5*0.0 4.930801024870e-02 -5.144361685360e-01 0.0 3.494352016440e-01 -7.979003755270e-01 5*0.0 7.242863506310e-01 8.843092691500e-01 0.0 -2.338633250580e-01 8.584541061100e-01
|
||||
5*0.0 3.945262517070e-02 -4.989111934520e-01 0.0 3.385472374220e-01 -7.782506660280e-01 5*0.0 7.148281591580e-01 8.797328151750e-01 0.0 -2.380395360070e-01 8.524392477900e-01
|
||||
5*0.0 2.871464957340e-02 -4.845041783170e-01 0.0 3.269749154730e-01 -7.585723543030e-01 5*0.0 7.053705139290e-01 8.751481330570e-01 0.0 -2.420812332690e-01 8.463877537070e-01
|
||||
5*0.0 1.729858881240e-02 -4.711473542270e-01 0.0 3.148934739720e-01 -7.389631561290e-01 5*0.0 6.959064966590e-01 8.705557960860e-01 0.0 -2.459979294580e-01 8.403081907860e-01
|
||||
5*0.0 5.388923802180e-03 -4.587749167790e-01 0.0 3.024619649660e-01 -7.195135316600e-01 5*0.0 6.864290848030e-01 8.659561397830e-01 0.0 -2.497991381930e-01 8.342089857810e-01
|
||||
5*0.0 -6.848779011820e-03 -4.473232690990e-01 0.0 2.898237402620e-01 -7.003060708470e-01 5*0.0 6.769312573800e-01 8.613492903660e-01 0.0 -2.534942902690e-01 8.280983657200e-01
|
||||
5*0.0 -1.926670261180e-02 -4.367311997590e-01 0.0 2.771070890100e-01 -6.814151705440e-01 5*0.0 6.674060876320e-01 8.567351914690e-01 0.0 -2.570926600430e-01 8.219843061950e-01
|
||||
5*0.0 -3.173359350250e-02 -4.269400073990e-01 0.0 2.644259864330e-01 -6.629069449490e-01 5*0.0 6.578468232700e-01 8.521136291020e-01 0.0 -2.606033014820e-01 8.158744871850e-01
|
||||
5*0.0 -4.413356941800e-02 -4.178935798860e-01 0.0 2.518809151030e-01 -6.448393151770e-01 5*0.0 6.482469551610e-01 8.474842548560e-01 0.0 -2.640349932650e-01 8.097762559700e-01
|
||||
5*0.0 -5.636496508790e-02 -4.095384345620e-01 0.0 2.395597240710e-01 -6.272622372430e-01 5*0.0 6.386002752810e-01 8.428466073820e-01 0.0 -2.673961923320e-01 8.036965966970e-01
|
||||
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5*0.0 8.176569492810e-02 -1.735499911470e-02 0.0 6.439667679530e-02 -4.259995687800e-02 5*0.0 -1.610575418830e-01 2.690851451220e-02 0.0 -9.098142998240e-02 4.799652372210e-02
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5*0.0 8.067075223800e-02 -1.698855834010e-02 0.0 6.327496571300e-02 -4.172150144010e-02 5*0.0 -1.583285129300e-01 2.621483640240e-02 0.0 -8.910432929900e-02 4.687749315320e-02
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5*0.0 7.958372177280e-02 -1.662887266800e-02 0.0 6.216793765090e-02 -4.085814559010e-02 5*0.0 -1.556251925790e-01 2.553635664320e-02 0.0 -8.725533645350e-02 4.577980694870e-02
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5*0.0 7.850470462130e-02 -1.627583793110e-02 0.0 6.107551449570e-02 -4.000970530170e-02 5*0.0 -1.529478571590e-01 2.487281160600e-02 0.0 -8.543429777220e-02 4.470319668510e-02
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5*0.0 7.637108722720e-02 -1.558931045060e-02 0.0 5.893415531880e-02 -3.835683608020e-02 5*0.0 -1.476721544970e-01 2.358948567200e-02 0.0 -8.187543459630e-02 4.261212922220e-02
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5*0.0 7.323297886490e-02 -1.460686433730e-02 0.0 5.582953324600e-02 -3.598481160150e-02 5*0.0 -1.399593553910e-01 2.177008362720e-02 0.0 -7.674257867700e-02 3.962687977860e-02
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5*0.0 7.220386550550e-02 -1.429161316370e-02 0.0 5.482293871130e-02 -3.522201452540e-02 5*0.0 -1.374427264330e-01 2.119077371600e-02 0.0 -7.508567669570e-02 3.867108331750e-02
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5*0.0 7.118332635840e-02 -1.398231643120e-02 0.0 5.383032495840e-02 -3.447285368420e-02 5*0.0 -1.349535220650e-01 2.062463484360e-02 0.0 -7.345547796810e-02 3.773448377220e-02
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5*0.0 7.017142209730e-02 -1.367887926780e-02 0.0 5.285159334940e-02 -3.373714847230e-02 5*0.0 -1.324918820470e-01 2.007142683480e-02 0.0 -7.185178178480e-02 3.681681404150e-02
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5*0.0 6.916820894910e-02 -1.338120795360e-02 0.0 5.188664322390e-02 -3.301471897510e-02 5*0.0 -1.300579308310e-01 1.953091247380e-02 0.0 -7.027438265640e-02 3.591780766720e-02
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5*0.0 6.817373877240e-02 -1.308920990540e-02 0.0 5.093537205110e-02 -3.230538610910e-02 5*0.0 -1.276517779460e-01 1.900285750530e-02 0.0 -6.872307054430e-02 3.503719892940e-02
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5*0.0 6.718805917670e-02 -1.280279368490e-02 0.0 4.999767549090e-02 -3.160897158440e-02 5*0.0 -1.252735183780e-01 1.848703063420e-02 0.0 -6.719763108580e-02 3.417472293900e-02
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5*0.0 6.621121362670e-02 -1.252186897690e-02 0.0 4.907344751360e-02 -3.092529800040e-02 5*0.0 -1.229232329440e-01 1.798320352430e-02 0.0 -6.569784581530e-02 3.333011572680e-02
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5*0.0 6.428417856200e-02 -1.197613848200e-02 0.0 4.726496545950e-02 -2.959546883280e-02 5*0.0 -1.183068391380e-01 1.701065001750e-02 0.0 -6.277434475700e-02 3.169345687370e-02
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5*0.0 6.333405632230e-02 -1.171115767910e-02 0.0 4.638049183710e-02 -2.894896333050e-02 5*0.0 -1.160408248950e-01 1.654148170950e-02 0.0 -6.135017345200e-02 3.090088265450e-02
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5*0.0 6.239290290130e-02 -1.145131834600e-02 0.0 4.550904790660e-02 -2.831449900800e-02 5*0.0 -1.138029737700e-01 1.608342932870e-02 0.0 -5.995074571190e-02 3.012513221460e-02
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5*0.0 6.146074273980e-02 -1.119653573920e-02 0.0 4.465052070160e-02 -2.769190360500e-02 5*0.0 -1.115933012520e-01 1.563627926520e-02 0.0 -5.857582571950e-02 2.936594741740e-02
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5*0.0 6.053759679660e-02 -1.094672621090e-02 0.0 4.380479616000e-02 -2.708100598140e-02 5*0.0 -1.094118108380e-01 1.519982083280e-02 0.0 -5.722517478910e-02 2.862307151930e-02
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5*0.0 5.962348265640e-02 -1.070180720320e-02 0.0 4.297175919260e-02 -2.648163619680e-02 5*0.0 -1.072584943850e-01 1.477384625950e-02 0.0 -5.589855155720e-02 2.789624923830e-02
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5*0.0 5.871841456500e-02 -1.046169723160e-02 0.0 4.215129375250e-02 -2.589362552260e-02 5*0.0 -1.051333324510e-01 1.435815067680e-02 0.0 -5.459571216840e-02 2.718522682000e-02
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5*0.0 5.782240362110e-02 -1.022631589190e-02 0.0 4.134328293220e-02 -2.531680646590e-02 5*0.0 -1.030362946340e-01 1.395253210800e-02 0.0 -5.331641045730e-02 2.648975210070e-02
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5*0.0 5.693545780630e-02 -9.995583839970e-03 0.0 4.054760904250e-02 -2.475101282420e-02 5*0.0 -1.009673399100e-01 1.355679145570e-02 0.0 -5.206039812590e-02 2.580957456900e-02
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5*0.0 5.605758209880e-02 -9.769422794940e-03 0.0 3.976415368440e-02 -2.419607967850e-02 5*0.0 -9.892641696350e-02 1.317073248870e-02 0.0 -5.082742491740e-02 2.514444542280e-02
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5*0.0 5.518877853750e-02 -9.547755516070e-03 0.0 3.899279780920e-02 -2.365184346570e-02 5*0.0 -9.691346451090e-02 1.279416182710e-02 0.0 -4.961723878480e-02 2.449411762570e-02
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5*0.0 5.432904635110e-02 -9.330505813730e-03 0.0 3.823342181490e-02 -2.311814197130e-02 5*0.0 -9.492841162470e-02 1.242688892800e-02 0.0 -4.842958605590e-02 2.385834595960e-02
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5*0.0 5.347838201370e-02 -9.117598524430e-03 0.0 3.748590557740e-02 -2.259481434150e-02 5*0.0 -9.297117804860e-02 1.206872606920e-02 0.0 -4.726421159420e-02 2.323688707550e-02
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5*0.0 5.263677935470e-02 -8.908959515990e-03 0.0 3.675012855800e-02 -2.208170115040e-02 5*0.0 -9.104167451050e-02 1.171948833270e-02 0.0 -4.612085895570e-02 2.262949954150e-02
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5*0.0 5.180422962130e-02 -8.704515669170e-03 0.0 3.602596982670e-02 -2.157864436060e-02 5*0.0 -8.913980302880e-02 1.137899358780e-02 0.0 -4.499927054080e-02 2.203594388860e-02
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5*0.0 5.098072156210e-02 -8.504194876140e-03 0.0 3.531330814830e-02 -2.108548740020e-02 5*0.0 -8.726545721490e-02 1.104706247260e-02 0.0 -4.389918774370e-02 2.145598265460e-02
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5*0.0 5.016624151290e-02 -8.307926023110e-03 0.0 3.461202204140e-02 -2.060207514570e-02 5*0.0 -8.541852257070e-02 1.072351837600e-02 0.0 -4.282035109610e-02 2.088938042450e-02
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5*0.0 4.936077346990e-02 -8.115638992500e-03 0.0 3.392198981870e-02 -2.012825393040e-02 5*0.0 -8.359887678120e-02 1.040818741810e-02 0.0 -4.176250040850e-02 2.033590387030e-02
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5*0.0 4.856429917010e-02 -7.927264647950e-03 0.0 3.324308966060e-02 -1.966387158720e-02 5*0.0 -8.180639000160e-02 1.010089843080e-02 0.0 -4.072537490630e-02 1.979532178730e-02
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5*0.0 4.777679815560e-02 -7.742734823250e-03 0.0 3.257519965150e-02 -1.920877744660e-02 5*0.0 -8.004092514050e-02 9.801482937110e-03 0.0 -3.970871336270e-02 1.926740512880e-02
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5*0.0 4.699824786560e-02 -7.561982321460e-03 0.0 3.191819784210e-02 -1.876282233330e-02 5*0.0 -7.830233813720e-02 9.509775130760e-03 0.0 -3.871225422800e-02 1.875192703890e-02
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5*0.0 4.622862369260e-02 -7.384940899670e-03 0.0 3.127196229180e-02 -1.832585861350e-02 5*0.0 -7.659047823480e-02 9.225611854580e-03 0.0 -3.773573575430e-02 1.824866288290e-02
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5*0.0 4.546789903640e-02 -7.211545258550e-03 0.0 3.063637112270e-02 -1.789774016970e-02 5*0.0 -7.490518824750e-02 8.948832578850e-03 0.0 -3.677889611740e-02 1.775739027590e-02
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5*0.0 4.471604539990e-02 -7.041731039070e-03 0.0 3.001130255510e-02 -1.747832243000e-02 5*0.0 -7.324630482380e-02 8.679279379070e-03 0.0 -3.584147353430e-02 1.727788910930e-02
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5*0.0 4.397303245010e-02 -6.875434811030e-03 0.0 2.939663496840e-02 -1.706746236200e-02 5*0.0 -7.161365870460e-02 8.416796913360e-03 0.0 -3.492320637730e-02 1.680994157550e-02
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5*0.0 4.323882806580e-02 -6.712594060950e-03 0.0 2.879224692340e-02 -1.666501848180e-02 5*0.0 -7.000707497550e-02 8.161232399420e-03 0.0 -3.402383328480e-02 1.635333219090e-02
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5*0.0 4.251339841870e-02 -6.553147188580e-03 0.0 2.819801720940e-02 -1.627085087160e-02 5*0.0 -6.842637331540e-02 7.912435591200e-03 0.0 -3.314309326830e-02 1.590784781700e-02
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5*0.0 4.179670800870e-02 -6.397033490400e-03 0.0 2.761382488910e-02 -1.588482116830e-02 5*0.0 -6.687136823920e-02 7.670258755150e-03 0.0 -3.228072581590e-02 1.547327767930e-02
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5*0.0 4.108871976540e-02 -6.244193158570e-03 0.0 2.703954933530e-02 -1.550679257790e-02 5*0.0 -6.534186933640e-02 7.434556646250e-03 0.0 -3.143647099240e-02 1.504941338530e-02
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5*0.0 4.038939507160e-02 -6.094567266480e-03 0.0 2.647507025370e-02 -1.513662986540e-02 5*0.0 -6.383768150410e-02 7.205186483640e-03 0.0 -3.061006953620e-02 1.463604894000e-02
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5*0.0 3.969869382830e-02 -5.948097759120e-03 0.0 2.592026773710e-02 -1.477419937080e-02 5*0.0 -6.235860517550e-02 6.982007926090e-03 0.0 -2.980126295260e-02 1.423298076050e-02
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5*0.0 3.901657451700e-02 -5.804727446900e-03 0.0 2.537502228320e-02 -1.441936900440e-02 5*0.0 -6.090443654370e-02 6.764883047150e-03 0.0 -2.900979360430e-02 1.384000768840e-02
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5*0.0 3.834299425360e-02 -5.664399996070e-03 0.0 2.483921482530e-02 -1.407200823980e-02 5*0.0 -5.947496778030e-02 6.553676310090e-03 0.0 -2.823540479820e-02 1.345693100120e-02
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5*0.0 3.767790883200e-02 -5.527059915880e-03 0.0 2.431272677870e-02 -1.373198811980e-02 5*0.0 -5.806998724960e-02 6.348254542630e-03 0.0 -2.747784086900e-02 1.308355442150e-02
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5*0.0 3.702127278410e-02 -5.392652553300e-03 0.0 2.379544004910e-02 -1.339918126110e-02 5*0.0 -5.668927971800e-02 6.148486911480e-03 0.0 -2.673684726040e-02 1.271968412580e-02
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5*0.0 3.637303943360e-02 -5.261124083110e-03 0.0 2.328723707780e-02 -1.307346183770e-02 5*0.0 -5.533262655840e-02 5.954244896750e-03 0.0 -2.601217060260e-02 1.236512875070e-02
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5*0.0 3.573316093900e-02 -5.132421497490e-03 0.0 2.278800085930e-02 -1.275470559580e-02 5*0.0 -5.399980595010e-02 5.765402266130e-03 0.0 -2.530355878690e-02 1.201969939830e-02
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5*0.0 3.510158833730e-02 -5.006492596630e-03 0.0 2.229761495990e-02 -1.244278982980e-02 5*0.0 -5.269059307440e-02 5.581835049020e-03 0.0 -2.461076103750e-02 1.168320964080e-02
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5*0.0 3.447827159720e-02 -4.883285981010e-03 0.0 2.181596355880e-02 -1.213759339370e-02 5*0.0 -5.140476030480e-02 5.403421510470e-03 0.0 -2.393352798060e-02 1.135547552260e-02
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5*0.0 3.386315967050e-02 -4.762751042510e-03 0.0 2.134293145650e-02 -1.183899669440e-02 5*0.0 -5.014207739370e-02 5.230042125090e-03 0.0 -2.327161171020e-02 1.103631556220e-02
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5*0.0 3.325620052450e-02 -4.644837954220e-03 0.0 2.087840410650e-02 -1.154688168460e-02 5*0.0 -4.890231165380e-02 5.061579550810e-03 0.0 -2.262476585160e-02 1.072555075230e-02
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5*0.0 3.265734118870e-02 -4.529497659580e-03 0.0 2.042226762420e-02 -1.126113184800e-02 5*0.0 -4.768522813500e-02 4.897918602630e-03 0.0 -2.199274562170e-02 1.042300455880e-02
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5*0.0 3.206652780680e-02 -4.416681867640e-03 0.0 1.997440882110e-02 -1.098163221940e-02 5*0.0 -4.649058979780e-02 4.738946226280e-03 0.0 -2.137530788740e-02 1.012850291920e-02
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||||
5*0.0 3.148370565720e-02 -4.306343043040e-03 0.0 1.953471521710e-02 -1.070826934440e-02 5*0.0 -4.531815768100e-02 4.584551471860e-03 0.0 -2.077221122030e-02 9.841874238950e-03
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5*0.0 3.090881922860e-02 -4.198434390680e-03 0.0 1.910307505640e-02 -1.044093129430e-02 5*0.0 -4.416769106620e-02 4.434625467420e-03 0.0 -2.018321595010e-02 9.562949387670e-03
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5*0.0 3.034181220050e-02 -4.092909855400e-03 0.0 1.867937731700e-02 -1.017950766260e-02 5*0.0 -4.303894763750e-02 4.289061392600e-03 0.0 -1.960808421410e-02 9.291561693600e-03
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||||
5*0.0 2.978262757490e-02 -3.989724115310e-03 0.0 1.826351174550e-02 -9.923889532530e-03 5*0.0 -4.193168363700e-02 4.147754452210e-03 0.0 -1.904658000590e-02 9.027546937540e-03
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5*0.0 2.923120761100e-02 -3.888832559090e-03 0.0 1.785536887030e-02 -9.673969497920e-03 5*0.0 -4.084565401620e-02 4.010601849830e-03 0.0 -1.849846922010e-02 8.770743345660e-03
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||||
5*0.0 2.868749390800e-02 -3.790191287040e-03 0.0 1.745483998980e-02 -9.429641635560e-03 5*0.0 -3.978061258360e-02 3.877502761490e-03 0.0 -1.796351969580e-02 8.520991581360e-03
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||||
5*0.0 2.815142746430e-02 -3.693757102760e-03 0.0 1.706181721460e-02 -9.190801501850e-03 5*0.0 -3.873631214740e-02 3.748358309290e-03 0.0 -1.744150125700e-02 8.278134736330e-03
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||||
5*0.0 2.762294868120e-02 -3.599487506350e-03 0.0 1.667619347190e-02 -8.957346120380e-03 5*0.0 -3.771250465500e-02 3.623071535200e-03 0.0 -1.693218575180e-02 8.042018320650e-03
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||||
5*0.0 2.710199738250e-02 -3.507340672120e-03 0.0 1.629786251490e-02 -8.729173984480e-03 5*0.0 -3.670894132850e-02 3.501547374790e-03 0.0 -1.643534708810e-02 7.812490252160e-03
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||||
5*0.0 2.658851289790e-02 -3.417275460410e-03 0.0 1.592671892710e-02 -8.506185030590e-03 5*0.0 -3.572537279550e-02 3.383692631150e-03 0.0 -1.595076126810e-02 7.589400844960e-03
|
||||
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5*0.0 1.706682037660e-03 -1.243908283110e-04 0.0 7.734838306300e-04 -4.260155862780e-04 5*0.0 1.212446082810e-04 2.395769402420e-04 0.0 -9.220734232930e-04 8.896111313560e-04
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5*0.0 1.649111629200e-03 -1.203501176880e-04 0.0 7.498311834110e-04 -4.157315405140e-04 5*0.0 1.365996665830e-04 2.393291606650e-04 0.0 -9.200724632330e-04 8.814792612480e-04
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5*0.0 1.538602854450e-03 -1.126996726620e-04 0.0 7.048520878730e-04 -3.961358675740e-04 5*0.0 1.622415020420e-04 2.389302358860e-04 0.0 -9.172165014800e-04 8.654347064380e-04
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5*0.0 1.485602108940e-03 -1.090812337300e-04 0.0 6.834841205910e-04 -3.868030786370e-04 5*0.0 1.726503972460e-04 2.387713173110e-04 0.0 -9.163135422000e-04 8.575082047830e-04
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5*0.0 1.434062944340e-03 -1.055950265870e-04 0.0 6.628369037150e-04 -3.777666811920e-04 5*0.0 1.815303732270e-04 2.386345263260e-04 0.0 -9.157299040720e-04 8.496368937220e-04
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5*0.0 1.335249441700e-03 -9.900306237390e-05 0.0 6.236263033670e-04 -3.605437762460e-04 5*0.0 1.949326876250e-04 2.384135913170e-04 0.0 -9.154329776120e-04 8.340357682950e-04
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5*0.0 1.153866510680e-03 -8.723282624050e-05 0.0 5.530141447640e-04 -3.292371731510e-04 5*0.0 2.058366452860e-04 2.380946761820e-04 0.0 -9.177471362870e-04 8.032477211660e-04
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5*0.0 9.926519000810e-04 -7.715557775590e-05 0.0 4.918686787570e-04 -3.016567032070e-04 5*0.0 1.982671036410e-04 2.377935195630e-04 0.0 -9.229455914150e-04 7.727635862950e-04
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|
||||
5*0.0 3.287833278760e-04 -4.027035779010e-05 0.0 2.606303048100e-04 -1.835701681330e-04 5*0.0 -1.201503863660e-04 2.286436419590e-04 0.0 -9.674938791460e-04 5.702222017430e-04
|
||||
5*0.0 3.136057713660e-04 -3.952823349590e-05 0.0 2.558276372180e-04 -1.804301415980e-04 5*0.0 -1.372149391660e-04 2.279099347520e-04 0.0 -9.682835497360e-04 5.621163182120e-04
|
||||
5*0.0 2.990248503590e-04 -3.881963821520e-05 0.0 2.512370182040e-04 -1.773573120060e-04 5*0.0 -1.544001239860e-04 2.271441391610e-04 0.0 -9.689475942680e-04 5.539857483390e-04
|
||||
5*0.0 2.850246496990e-04 -3.814316243240e-05 0.0 2.468504353970e-04 -1.743486804880e-04 5*0.0 -1.716861556610e-04 2.263462257020e-04 0.0 -9.694822584780e-04 5.458310548270e-04
|
||||
5*0.0 2.715895629050e-04 -3.749744035340e-05 0.0 2.426600889990e-04 -1.714013567410e-04 5*0.0 -1.890539198530e-04 2.255162048210e-04 0.0 -9.698840602460e-04 5.376528715390e-04
|
||||
5*0.0 2.587042781960e-04 -3.688114876930e-05 0.0 2.386583885640e-04 -1.685125566580e-04 5*0.0 -2.064849587950e-04 2.246541251410e-04 0.0 -9.701497812770e-04 5.294518998170e-04
|
||||
5*0.0 2.463537791870e-04 -3.629300606210e-05 0.0 2.348379488350e-04 -1.656795988270e-04 5*0.0 -2.239614572090e-04 2.237600717450e-04 0.0 -9.702764589430e-04 5.212289049170e-04
|
||||
5*0.0 2.345233411190e-04 -3.573177114090e-05 0.0 2.311915849580e-04 -1.628999024560e-04 5*0.0 -2.414662284310e-04 2.228341645280e-04 0.0 -9.702613782890e-04 5.129847125340e-04
|
||||
5*0.0 2.231985250690e-04 -3.519624247160e-05 0.0 2.277123094540e-04 -1.601709842500e-04 5*0.0 -2.589827007090e-04 2.218765565750e-04 0.0 -9.701020642080e-04 5.047202054320e-04
|
||||
5*0.0 2.123651786380e-04 -3.468525724370e-05 0.0 2.243933273490e-04 -1.574904559920e-04 5*0.0 -2.764949036980e-04 2.208874326070e-04 0.0 -9.697962737700e-04 4.964363201760e-04
|
||||
5*0.0 2.020094240910e-04 -3.419768992700e-05 0.0 2.212280336700e-04 -1.548560218340e-04 5*0.0 -2.939874551400e-04 2.198670074550e-04 0.0 -9.693419887140e-04 4.881340439440e-04
|
||||
5*0.0 1.921176656270e-04 -3.373245224260e-05 0.0 2.182100080030e-04 -1.522654757480e-04 5*0.0 -3.114455477300e-04 2.188155245930e-04 0.0 -9.687374080920e-04 4.798144114590e-04
|
||||
5*0.0 1.826765763930e-04 -3.328849124820e-05 0.0 2.153330119400e-04 -1.497166991880e-04 5*0.0 -3.288549361750e-04 2.177332547050e-04 0.0 -9.679809410770e-04 4.714785019840e-04
|
||||
5*0.0 1.736730999900e-04 -3.286478908450e-05 0.0 2.125909850330e-04 -1.472076584220e-04 5*0.0 -3.462019244330e-04 2.166204943010e-04 0.0 -9.670711999140e-04 4.631274364310e-04
|
||||
502
tests/DFTB/nonscc/sisi-d
Normal file
502
tests/DFTB/nonscc/sisi-d
Normal file
|
|
@ -0,0 +1,502 @@
|
|||
0.02, 500,
|
||||
1.0663 -0.1499 -0.3892, 0.0 3*0.0 0.0 2.0 2.0 T F
|
||||
28.086 0.203089 -0.572669 0.681471 -0.335877 0.061342 3*0.0 5.05, 5.1, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
-2.476317334090e-01 -2.606965828190e-01 -3.326198394860e-01 -8.238254999550e-02 -1.637142723500e-01 -1.129797829980e-01 -9.268103121920e-01 7.749555800570e-02 2.705900933930e-01 -1.028742782540e+00 8.818346896500e-01 9.014414603330e-01 9.665976272660e-01 -1.683070771540e-01 -1.432569259970e-01 8.688193220270e-01 9.504643788990e-01 -2.319595133630e-02 -1.500113220940e-01 9.390006756040e-01
|
||||
-2.382983282440e-01 -2.514861727550e-01 -3.289760710150e-01 -7.219692003810e-02 -1.622975198370e-01 -7.107931989690e-02 -8.870335994270e-01 8.868367210720e-02 2.988113466570e-01 -1.017582689020e+00 8.705001885300e-01 8.917879756820e-01 9.632666632480e-01 -1.770643771470e-01 -1.506781086350e-01 8.590851669000e-01 9.463448862310e-01 -2.532380402810e-02 -1.569635942070e-01 9.343960114170e-01
|
||||
-2.290036984650e-01 -2.421780013450e-01 -3.252425710420e-01 -6.142866399860e-02 -1.601839395180e-01 -3.535908957770e-02 -8.491102442630e-01 1.000961493160e-01 3.228294145790e-01 -1.006396924730e+00 8.587560180260e-01 8.817477520820e-01 9.597908900380e-01 -1.858074243070e-01 -1.581136042530e-01 8.493270728380e-01 9.421568168710e-01 -2.749418648120e-02 -1.637283107450e-01 9.296691867670e-01
|
||||
-2.197790937940e-01 -2.327993956040e-01 -3.214273927300e-01 -5.019284668460e-02 -1.574249238300e-01 -5.433815061500e-03 -8.130589417580e-01 1.116386507190e-01 3.427591884770e-01 -9.948394842950e-01 8.466196673820e-01 8.713314283920e-01 9.561726114370e-01 -1.945256029860e-01 -1.655600751440e-01 8.395619033320e-01 9.379084536670e-01 -2.969777906550e-02 -1.702979973680e-01 9.248202290220e-01
|
||||
-2.106531130630e-01 -2.233762064700e-01 -3.175383547140e-01 -3.859715720450e-02 -1.540713402530e-01 1.910503002780e-02 -7.788786919100e-01 1.232222031340e-01 3.587733797980e-01 -9.826660014640e-01 8.341089024140e-01 8.605498795170e-01 9.524141955620e-01 -2.032079776180e-01 -1.730139617630e-01 8.298032564980e-01 9.336073327290e-01 -3.192514962790e-02 -1.766675151850e-01 9.198502234340e-01
|
||||
-2.016518003810e-01 -2.139328124520e-01 -3.135830289220e-01 -2.674156826050e-02 -1.501731128090e-01 3.867839177150e-02 -7.465520317780e-01 1.347638991790e-01 3.710878780160e-01 -9.697171260940e-01 8.212417241670e-01 8.494141949010e-01 9.485180709880e-01 -2.118433666270e-01 -1.804715075210e-01 8.200617225390e-01 9.292602672850e-01 -3.416681946710e-02 -1.828339001940e-01 9.147613272800e-01
|
||||
-1.927987528900e-01 -2.044921270160e-01 -3.095687328610e-01 -1.471818917440e-02 -1.457788829170e-01 5.371072429490e-02 -7.160479022180e-01 1.461873483650e-01 3.799493054030e-01 -9.559034545260e-01 8.080363289010e-01 8.379356575900e-01 9.444867229670e-01 -2.204204112010e-01 -1.879287826070e-01 8.103451473790e-01 9.248733760660e-01 -3.641332320500e-02 -1.887961871060e-01 9.095567434410e-01
|
||||
-1.841152118090e-01 -1.950756322680e-01 -3.055025207200e-01 -2.611278546800e-03 -1.409357419590e-01 6.462273446720e-02 -6.873241733330e-01 1.574229304470e-01 3.856245445400e-01 -9.411920974140e-01 7.945110693750e-01 8.261257238420e-01 9.403226897290e-01 -2.289276392280e-01 -1.953817067740e-01 8.006588975460e-01 9.204521151840e-01 -3.865526247880e-02 -1.945552239840e-01 9.042406631500e-01
|
||||
-1.756201888200e-01 -1.857033987230e-01 -3.013911816650e-01 9.502620223680e-03 -1.356890288110e-01 7.182560467290e-02 -6.603298644610e-01 1.684078817780e-01 3.883920312750e-01 -9.255948740420e-01 7.806844174610e-01 8.139960032930e-01 9.360285588480e-01 -2.373535247020e-01 -2.028260710510e-01 7.910061222110e-01 9.160013125990e-01 -4.088335372530e-02 -2.001134829730e-01 8.988181865040e-01
|
||||
-1.673305734450e-01 -1.763941268080e-01 -2.972412365610e-01 2.155442877530e-02 -1.300821719980e-01 7.571648580310e-02 -6.350070785420e-01 1.790862472010e-01 3.885345979850e-01 -9.091580728380e-01 7.665749280550e-01 8.015582396920e-01 9.316069636890e-01 -2.456865428780e-01 -2.102575583860e-01 7.813880090920e-01 9.115252043960e-01 -4.308847025460e-02 -2.054748712890e-01 8.932952272310e-01
|
||||
-1.592612482750e-01 -1.671651854940e-01 -2.930589377960e-01 3.348223867860e-02 -1.241565931340e-01 7.667509434050e-02 -6.112926814360e-01 1.894087289060e-01 3.863336969250e-01 -8.919536822610e-01 7.522012042730e-01 7.888242921400e-01 9.270605799350e-01 -2.539152215210e-01 -2.176717632340e-01 7.718040314280e-01 9.070274721950e-01 -4.526167922090e-02 -2.106445458200e-01 8.876784082850e-01
|
||||
-1.514252044610e-01 -1.580326561560e-01 -2.888502703150e-01 4.523093039050e-02 -1.179516337020e-01 7.506126942000e-02 -5.891197523330e-01 1.993324497340e-01 3.820648126800e-01 -8.740719732480e-01 7.375818640050e-01 7.758061169190e-01 9.223921221880e-01 -2.620281884340e-01 -2.250642101040e-01 7.622521839350e-01 9.025112811070e-01 -4.739427388230e-02 -2.156287338900e-01 8.819749524850e-01
|
||||
-1.438336574000e-01 -1.490113760080e-01 -2.846209543760e-01 5.675178658400e-02 -1.115045281150e-01 7.121331831070e-02 -5.684188237450e-01 2.088206589020e-01 3.759939127830e-01 -8.556153110100e-01 7.227355078220e-01 7.625157498470e-01 9.176043406430e-01 -2.700142155060e-01 -2.324303711090e-01 7.527292060820e-01 8.979793177660e-01 -4.947780162440e-02 -2.204345621400e-01 8.761925721920e-01
|
||||
-1.364961516700e-01 -1.401149894930e-01 -2.803764479470e-01 6.800206539500e-02 -1.048503945620e-01 6.544703571900e-02 -5.491189355130e-01 2.178423915970e-01 3.683747812910e-01 -8.366930614370e-01 7.076806882440e-01 7.489652891770e-01 9.127000178530e-01 -2.778622594450e-01 -2.397656825570e-01 7.432307914900e-01 8.934338279910e-01 -5.150408825280e-02 -2.250698949470e-01 8.703393609360e-01
|
||||
-1.294206673870e-01 -1.313559964050e-01 -2.761219508350e-01 7.894457674690e-02 -9.802225371240e-02 5.805528493850e-02 -5.311485252570e-01 2.263721003080e-01 3.594471075010e-01 -8.174174691440e-01 6.924358803680e-01 7.351668790770e-01 9.076819655530e-01 -2.855614993280e-01 -2.470655605940e-01 7.337517826730e-01 8.888766537510e-01 -5.346525891340e-02 -2.295431833430e-01 8.644236892170e-01
|
||||
-1.226137296280e-01 -1.227457950040e-01 -2.718624108120e-01 8.954726241100e-02 -9.105106482040e-02 4.930801025730e-02 -5.144361685280e-01 2.343892705180e-01 3.494352016430e-01 -7.979003755200e-01 6.770194539490e-01 7.211326936280e-01 9.025530215810e-01 -2.931013710600e-01 -2.543254159600e-01 7.242863506310e-01 8.843092691500e-01 -5.535375605440e-02 -2.338633250580e-01 8.584541061100e-01
|
||||
-1.160804940340e-01 -1.142947384380e-01 -2.676025272350e-01 9.978277996330e-02 -8.396577411720e-02 3.945262517930e-02 -4.989111934440e-01 2.418780253710e-01 3.385472374210e-01 -7.782506660200e-01 6.614496468130e-01 7.068749214290e-01 8.973160468650e-01 -3.004715988690e-01 -2.615406678610e-01 7.148281591580e-01 8.797328151750e-01 -5.716235473020e-02 -2.380395360080e-01 8.524392477900e-01
|
||||
-1.098248389850e-01 -1.060121776100e-01 -2.633467575820e-01 1.096281067310e-01 -7.679337663500e-02 2.871464958190e-02 -4.845041783090e-01 2.488267465450e-01 3.269749154720e-01 -7.585723542960e-01 6.457445397490e-01 6.924057507220e-01 8.919739224920e-01 -3.076622238550e-01 -2.687067570060e-01 7.053705139290e-01 8.751481330570e-01 -5.888417548850e-02 -2.420812332700e-01 8.463877537070e-01
|
||||
-1.038494569720e-01 -9.790650885660e-02 -2.590993239460e-01 1.190641598250e-01 -6.955898243610e-02 1.729858882080e-02 -4.711473542190e-01 2.552276741780e-01 3.148934739700e-01 -7.389631561220e-01 6.299220327260e-01 6.777373551220e-01 8.865295468580e-01 -3.146636297250e-01 -2.758191578120e-01 6.959064966590e-01 8.705557960860e-01 -6.051269510520e-02 -2.459979294590e-01 8.403081907850e-01
|
||||
-9.815592561880e-02 -8.998522253030e-02 -2.548642185260e-01 1.280754455260e-01 -6.228589403310e-02 5.388923810510e-03 -4.587749167710e-01 2.610765516380e-01 3.024619649640e-01 -7.195135316530e-01 6.139998225470e-01 6.628818798920e-01 8.809858328980e-01 -3.214665657260e-01 -2.828733898230e-01 6.864290848030e-01 8.659561397830e-01 -6.204175532700e-02 -2.497991381930e-01 8.342089857810e-01
|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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|
||||
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||||
-1.669849094250e-04 -3.990397163270e-06 -4.673321657470e-06 -5.211553066090e-04 4.222681535850e-05 4.531336708930e-04 -4.653211430200e-05 -1.957920460960e-04 3.009061190760e-04 -2.077079974480e-04 3.404231624560e-04 -6.090096820140e-04 3.648183875900e-05 6.179922826710e-04 -1.408617442790e-04 -5.885804320090e-06 2.328928406670e-04 3.315969058350e-04 -9.588251674260e-04 6.262416417080e-04
|
||||
-1.462817124580e-04 -4.941170157970e-06 -4.672894885830e-06 -5.008244425780e-04 4.029517078350e-05 4.333080014030e-04 -4.551192169530e-05 -1.876434234560e-04 2.943759613450e-04 -2.040038575640e-04 3.616838275340e-04 -6.056959905740e-04 3.514049485530e-05 6.171298769890e-04 -1.383399137380e-04 -2.149251671950e-05 2.323791788320e-04 3.257529028520e-04 -9.603644138740e-04 6.183175196340e-04
|
||||
-1.264480169930e-04 -5.761517760010e-06 -4.674333414470e-06 -4.811600857100e-04 3.844355801700e-05 4.141991187020e-04 -4.453644036860e-05 -1.797718407750e-04 2.881202665450e-04 -2.003912052840e-04 3.828455694150e-04 -6.022582204750e-04 3.381174666650e-05 6.164676145240e-04 -1.358313084560e-04 -3.737837803780e-05 2.318349118610e-04 3.199457010940e-04 -9.618126693130e-04 6.103670960580e-04
|
||||
-1.074629408800e-04 -6.457678811190e-06 -4.677315324950e-06 -4.621457731350e-04 3.666912659940e-05 3.957888913190e-04 -4.360392389200e-05 -1.721686107210e-04 2.821294103860e-04 -1.968661952210e-04 4.038868856660e-04 -5.986978797130e-04 3.249577167550e-05 6.159870542070e-04 -1.333351602550e-04 -5.351849216930e-05 2.312596770560e-04 3.141709845020e-04 -9.631640269870e-04 6.023903235680e-04
|
||||
-8.930592823540e-05 -7.035591924830e-06 -4.681632583990e-06 -4.437652876660e-04 3.496908006500e-05 3.780595166420e-04 -4.271267720360e-05 -1.648253007820e-04 2.763940114170e-04 -1.934251125320e-04 4.247872097140e-04 -5.950165951880e-04 3.119274265220e-05 6.156704621990e-04 -1.308507721820e-04 -6.988873893460e-05 2.306531654630e-04 3.084247154100e-04 -9.644129153760e-04 5.943872547030e-04
|
||||
-7.195677921340e-05 -7.501153288660e-06 -4.686959640450e-06 -4.260027409870e-04 3.334072909870e-05 3.609935156540e-04 -4.186105608500e-05 -1.577336476410e-04 2.709049275490e-04 -1.900643694830e-04 4.455268896040e-04 -5.912161056790e-04 2.990282746430e-05 6.155007952260e-04 -1.283775152610e-04 -8.646575850380e-05 2.300151197260e-04 3.027031250750e-04 -9.655540886580e-04 5.863580374910e-04
|
||||
-5.539562931480e-05 -7.859756757630e-06 -4.693177815970e-06 -4.088424616680e-04 3.178144764070e-05 3.445737325960e-04 -4.104746528100e-05 -1.508856474630e-04 2.656532512380e-04 -1.867805023460e-04 4.660871670620e-04 -5.872982551120e-04 2.862618889270e-05 6.154616841720e-04 -1.259148253630e-04 -1.032269360100e-04 2.293453320070e-04 2.970027044190e-04 -9.665826173410e-04 5.783029111160e-04
|
||||
-3.960268769850e-05 -8.117012588020e-06 -4.699986697730e-06 -3.922690599470e-04 3.028868765040e-05 3.287833278840e-04 -4.027035778950e-05 -1.442734609410e-04 2.606303048050e-04 -1.835701681140e-04 4.864501565260e-04 -5.832649859540e-04 2.736298447840e-05 6.155374178600e-04 -1.234622001630e-04 -1.201503863440e-04 2.286436419590e-04 2.913201949410e-04 -9.674938790810e-04 5.702222016930e-04
|
||||
-2.455787742670e-05 -8.278317682350e-06 -4.707176601430e-06 -3.762674103240e-04 2.885998482390e-05 3.136057713740e-04 -3.952823349550e-05 -1.378894677800e-04 2.558276372130e-04 -1.804301415790e-04 5.065988247840e-04 -5.791183329250e-04 2.611336639940e-05 6.157129270650e-04 -1.210191961890e-04 -1.372149391440e-04 2.279099347530e-04 2.856525798530e-04 -9.682835496710e-04 5.621163181630e-04
|
||||
-1.024264925860e-05 -8.348604913040e-06 -4.714588885630e-06 -3.608226853480e-04 2.749293551270e-05 2.990248503680e-04 -3.881963821490e-05 -1.317262477170e-04 2.512370181970e-04 -1.773573119900e-04 5.265169703770e-04 -5.748604168000e-04 2.487748131170e-05 6.159737687480e-04 -1.185854259810e-04 -1.544001239640e-04 2.271441391620e-04 2.799970753770e-04 -9.689475942040e-04 5.539857482910e-04
|
||||
3.362616313460e-06 -8.333040756540e-06 -4.721996513150e-06 -3.459202751070e-04 2.618522022070e-05 2.850246497070e-04 -3.814316243190e-05 -1.257765632960e-04 2.468504353910e-04 -1.743486804720e-04 5.461892036340e-04 -5.704934385000e-04 2.365547026150e-05 6.163061105010e-04 -1.161605553130e-04 -1.716861556390e-04 2.263462257020e-04 2.743511222740e-04 -9.694822584140e-04 5.458310547810e-04
|
||||
1.627633225750e-05 -8.236219203720e-06 -4.729304871320e-06 -3.315458567490e-04 2.493457946990e-05 2.715895629120e-04 -3.749744035320e-05 -1.200333904700e-04 2.426600889910e-04 -1.714013567210e-04 5.656009265660e-04 -5.660196733320e-04 2.244746856720e-05 6.166967152150e-04 -1.137443005280e-04 -1.890539198320e-04 2.255162048220e-04 2.687123775330e-04 -9.698840601830e-04 5.376528714940e-04
|
||||
2.851727075760e-05 -8.062987054330e-06 -4.736288650050e-06 -3.176853793320e-04 2.373883306150e-05 2.587042782010e-04 -3.688114876900e-05 -1.144898573980e-04 2.386583885570e-04 -1.685125566390e-04 5.847383133380e-04 -5.614414654350e-04 2.125360575400e-05 6.171329259740e-04 -1.113364259480e-04 -2.064849587740e-04 2.246541251410e-04 2.630787062520e-04 -9.701497812140e-04 5.294518997730e-04
|
||||
4.010373192200e-05 -7.817830512210e-06 -4.742799231080e-06 -3.043250068440e-04 2.259585654010e-05 2.463537791930e-04 -3.629300606160e-05 -1.091393181560e-04 2.348379488300e-04 -1.656795988090e-04 6.035882906000e-04 -5.567612223960e-04 2.007400544810e-05 6.176026511680e-04 -1.089367413720e-04 -2.239614571880e-04 2.237600717460e-04 2.574481737230e-04 -9.702764588800e-04 5.212289048750e-04
|
||||
5.105349222140e-05 -7.505020928560e-06 -4.748733193480e-06 -2.914512073390e-04 2.150359852850e-05 2.345233411250e-04 -3.573177114040e-05 -1.039752655020e-04 2.311915849500e-04 -1.628999024390e-04 6.221385184200e-04 -5.519814100750e-04 1.890878533600e-05 6.180943498240e-04 -1.065450996410e-04 -2.414662284110e-04 2.228341645280e-04 2.518190376700e-04 -9.702613782260e-04 5.129847124930e-04
|
||||
6.138470860550e-05 -7.128927798020e-06 -4.753926147720e-06 -2.790506602070e-04 2.046006676710e-05 2.231985250730e-04 -3.519624247090e-05 -9.899140147070e-05 2.277123094460e-04 -1.601709842350e-04 6.403773712290e-04 -5.471045475890e-04 1.775805710570e-05 6.185970171860e-04 -1.041613943240e-04 -2.589827006890e-04 2.218765565760e-04 2.461897406960e-04 -9.701020641450e-04 5.047202053930e-04
|
||||
7.111434796720e-05 -6.693459736880e-06 -4.758295812740e-06 -2.671103333000e-04 1.946333162970e-05 2.123651786420e-04 -3.468525724300e-05 -9.418157778100e-05 2.243933273410e-04 -1.574904559790e-04 6.582939189970e-04 -5.421332024820e-04 1.662192640560e-05 6.191001704570e-04 -1.017855574280e-04 -2.764949036780e-04 2.208874326070e-04 2.405589029040e-04 -9.697962737080e-04 4.964363201370e-04
|
||||
8.026017294530e-05 -6.202685412580e-06 -4.761723321900e-06 -2.556173949300e-04 1.851152437840e-05 2.020094240960e-04 -3.419768992670e-05 -8.953983612110e-05 2.212280336630e-04 -1.548560218190e-04 6.758779088790e-04 -5.370699860440e-04 1.550049280310e-05 6.195938348500e-04 -9.941755722580e-05 -2.939874551200e-04 2.198670074560e-04 2.349253146790e-04 -9.693419886520e-04 4.881340439070e-04
|
||||
8.883884535080e-05 -5.660373432430e-06 -4.764089687060e-06 -2.445593240760e-04 1.760284267560e-05 1.921176656310e-04 -3.373245224220e-05 -8.506036926560e-05 2.182100079950e-04 -1.522654757330e-04 6.931197467620e-04 -5.319175488510e-04 1.439384977410e-05 6.200685297750e-04 -9.705739614320e-05 -3.114455477100e-04 2.188155245940e-04 2.292879296570e-04 -9.687374080300e-04 4.798144114230e-04
|
||||
9.686725582160e-05 -5.070255517540e-06 -4.765305958270e-06 -2.339237890780e-04 1.673552925380e-05 1.826765763950e-04 -3.328849124760e-05 -8.073753909890e-05 2.153330119330e-04 -1.497166991730e-04 7.100104794740e-04 -5.266785763880e-04 1.330208469500e-05 6.205152553270e-04 -9.470510872470e-05 -3.288549361550e-04 2.177332547060e-04 2.236458578720e-04 -9.679809410160e-04 4.714785019490e-04
|
||||
1.043617380970e-04 -4.435859944570e-06 -4.765277448510e-06 -2.236987277510e-04 1.590789476690e-05 1.736730999930e-04 -3.286478908410e-05 -7.656587439040e-05 2.125909850250e-04 -1.472076584070e-04 7.265417767630e-04 -5.213557849070e-04 1.222527880820e-05 6.209254789250e-04 -9.236075965540e-05 -3.462019244140e-04 2.166204943020e-04 2.179983590630e-04 -9.670711998530e-04 4.631274363980e-04
|
||||
141
tests/DFTB/nonscc/smo
Normal file
141
tests/DFTB/nonscc/smo
Normal file
|
|
@ -0,0 +1,141 @@
|
|||
0.1, 140, SMo 3.9 4.9 relativ.
|
||||
0.0, -0.0875289499 0.4205671108 -0.3193160460 0.0899881026 4*0.0, 5.0, 5.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
3*0.0 0.13688 -0.74173 -0.37550 0.30351 0.32054 -0.17496 -0.10283 3*0.0 0.20687 0.20260 0.46976 0.44027 -0.02446 0.17292 0.48111
|
||||
3*0.0 0.21658 -0.52542 -0.50061 0.15139 0.17795 -0.16269 -0.14786 3*0.0 0.24455 0.24025 0.47969 0.44728 -0.02923 0.21263 0.48854
|
||||
3*0.0 0.11251 -0.38719 -0.45118 0.04520 0.18953 -0.22205 -0.22108 3*0.0 0.28282 0.27632 0.48286 0.45303 -0.03530 0.25106 0.49543
|
||||
3*0.0 -0.07395 -0.32633 -0.33324 -0.01757 0.27929 -0.31413 -0.30128 3*0.0 0.32027 0.31150 0.48076 0.45719 -0.04147 0.28737 0.50116
|
||||
3*0.0 -0.26585 -0.32272 -0.21972 -0.04965 0.37976 -0.39595 -0.36316 3*0.0 0.35427 0.34567 0.47553 0.45984 -0.04578 0.32029 0.50493
|
||||
3*0.0 -0.42019 -0.35367 -0.14383 -0.06392 0.45150 -0.44523 -0.39603 3*0.0 0.38215 0.37824 0.46885 0.46122 -0.04642 0.34886 0.50624
|
||||
3*0.0 -0.52052 -0.40059 -0.11141 -0.06995 0.47958 -0.45872 -0.40178 3*0.0 0.40183 0.40844 0.46160 0.46162 -0.04215 0.37269 0.50504
|
||||
3*0.0 -0.56665 -0.45043 -0.11454 -0.07364 0.46457 -0.44372 -0.38832 3*0.0 0.41207 0.43552 0.45385 0.46127 -0.03249 0.39201 0.50165
|
||||
3*0.0 -0.56655 -0.49517 -0.14088 -0.07803 0.41472 -0.41099 -0.36458 3*0.0 0.41251 0.45885 0.44517 0.46030 -0.01758 0.40740 0.49659
|
||||
3*0.0 -0.53114 -0.53053 -0.17852 -0.08427 0.34079 -0.37064 -0.33794 3*0.0 0.40345 0.47801 0.43486 0.45875 0.00193 0.41968 0.49046
|
||||
3*0.0 -0.47147 -0.55486 -0.21800 -0.09243 0.25323 -0.33041 -0.31344 3*0.0 0.38570 0.49277 0.42219 0.45661 0.02509 0.42965 0.48378
|
||||
3*0.0 -0.39728 -0.56812 -0.25279 -0.10200 0.16078 -0.29537 -0.29392 3*0.0 0.36042 0.50306 0.40653 0.45381 0.05080 0.43807 0.47699
|
||||
3*0.0 -0.31646 -0.57127 -0.27899 -0.11229 0.07009 -0.26820 -0.28047 3*0.0 0.32894 0.50898 0.38745 0.45028 0.07796 0.44553 0.47037
|
||||
3*0.0 -0.23498 -0.56575 -0.29479 -0.12261 -0.01426 -0.24981 -0.27300 3*0.0 0.29264 0.51074 0.36467 0.44593 0.10553 0.45247 0.46411
|
||||
3*0.0 -0.15705 -0.55314 -0.29994 -0.13237 -0.08943 -0.23988 -0.27070 3*0.0 0.25288 0.50864 0.33815 0.44070 0.13260 0.45917 0.45824
|
||||
3*0.0 -0.08537 -0.53502 -0.29519 -0.14111 -0.15399 -0.23736 -0.27240 3*0.0 0.21093 0.50302 0.30801 0.43452 0.15841 0.46578 0.45274
|
||||
3*0.0 -0.02150 -0.51284 -0.28190 -0.14851 -0.20758 -0.24082 -0.27685 3*0.0 0.16793 0.49428 0.27453 0.42737 0.18237 0.47232 0.44751
|
||||
3*0.0 0.03394 -0.48784 -0.26170 -0.15440 -0.25051 -0.24872 -0.28287 3*0.0 0.12490 0.48282 0.23811 0.41924 0.20405 0.47872 0.44241
|
||||
3*0.0 0.08090 -0.46109 -0.23626 -0.15872 -0.28357 -0.25959 -0.28944 3*0.0 0.08269 0.46903 0.19926 0.41013 0.22314 0.48485 0.43726
|
||||
3*0.0 0.11980 -0.43344 -0.20719 -0.16147 -0.30779 -0.27213 -0.29573 3*0.0 0.04202 0.45332 0.15856 0.40008 0.23948 0.49053 0.43189
|
||||
3*0.0 0.15125 -0.40556 -0.17591 -0.16273 -0.32430 -0.28524 -0.30114 3*0.0 0.00345 0.43606 0.11661 0.38915 0.25298 0.49555 0.42616
|
||||
3*0.0 0.17603 -0.37796 -0.14362 -0.16261 -0.33424 -0.29805 -0.30525 3*0.0 -0.03257 0.41760 0.07406 0.37740 0.26366 0.49971 0.41991
|
||||
3*0.0 0.19494 -0.35104 -0.11132 -0.16126 -0.33866 -0.30987 -0.30779 3*0.0 -0.06573 0.39824 0.03153 0.36491 0.27160 0.50280 0.41302
|
||||
3*0.0 0.20875 -0.32506 -0.07979 -0.15882 -0.33854 -0.32023 -0.30863 3*0.0 -0.09579 0.37830 -0.01036 0.35178 0.27691 0.50465 0.40542
|
||||
3*0.0 0.21823 -0.30023 -0.04963 -0.15546 -0.33475 -0.32879 -0.30774 3*0.0 -0.12262 0.35801 -0.05107 0.33812 0.27977 0.50510 0.39704
|
||||
3*0.0 0.22403 -0.27665 -0.02128 -0.15131 -0.32803 -0.33537 -0.30517 3*0.0 -0.14619 0.33762 -0.09007 0.32402 0.28036 0.50403 0.38785
|
||||
3*0.0 0.22674 -0.25440 0.00498 -0.14653 -0.31902 -0.33987 -0.30102 3*0.0 -0.16650 0.31733 -0.12692 0.30960 0.27888 0.50137 0.37787
|
||||
3*0.0 0.22690 -0.23351 0.02894 -0.14125 -0.30825 -0.34227 -0.29543 3*0.0 -0.18361 0.29730 -0.16125 0.29496 0.27556 0.49707 0.36713
|
||||
3*0.0 0.22495 -0.21398 0.05053 -0.13559 -0.29619 -0.34263 -0.28855 3*0.0 -0.19766 0.27767 -0.19275 0.28020 0.27059 0.49112 0.35566
|
||||
3*0.0 0.22130 -0.19578 0.06971 -0.12966 -0.28320 -0.34104 -0.28055 3*0.0 -0.20877 0.25858 -0.22120 0.26543 0.26421 0.48356 0.34355
|
||||
3*0.0 0.21627 -0.17887 0.08651 -0.12354 -0.26960 -0.33765 -0.27160 3*0.0 -0.21714 0.24012 -0.24643 0.25074 0.25661 0.47444 0.33088
|
||||
3*0.0 0.21017 -0.16320 0.10101 -0.11732 -0.25565 -0.33259 -0.26189 3*0.0 -0.22296 0.22236 -0.26835 0.23621 0.24800 0.46386 0.31773
|
||||
3*0.0 0.20322 -0.14872 0.11330 -0.11108 -0.24156 -0.32605 -0.25155 3*0.0 -0.22643 0.20536 -0.28694 0.22193 0.23857 0.45193 0.30422
|
||||
3*0.0 0.19566 -0.13536 0.12352 -0.10488 -0.22750 -0.31820 -0.24076 3*0.0 -0.22778 0.18917 -0.30224 0.20796 0.22849 0.43877 0.29043
|
||||
3*0.0 0.18764 -0.12306 0.13179 -0.09875 -0.21361 -0.30922 -0.22965 3*0.0 -0.22721 0.17382 -0.31430 0.19437 0.21793 0.42454 0.27647
|
||||
3*0.0 0.17932 -0.11176 0.13826 -0.09276 -0.20000 -0.29928 -0.21835 3*0.0 -0.22495 0.15931 -0.32327 0.18121 0.20704 0.40937 0.26245
|
||||
3*0.0 0.17083 -0.10138 0.14309 -0.08692 -0.18676 -0.28856 -0.20697 3*0.0 -0.22122 0.14566 -0.32930 0.16851 0.19595 0.39344 0.24844
|
||||
3*0.0 0.16226 -0.09187 0.14642 -0.08126 -0.17397 -0.27723 -0.19563 3*0.0 -0.21620 0.13287 -0.33256 0.15633 0.18478 0.37690 0.23455
|
||||
3*0.0 0.15372 -0.08317 0.14840 -0.07582 -0.16166 -0.26543 -0.18439 3*0.0 -0.21011 0.12091 -0.33328 0.14467 0.17365 0.35990 0.22085
|
||||
3*0.0 0.14526 -0.07522 0.14917 -0.07059 -0.14989 -0.25332 -0.17336 3*0.0 -0.20313 0.10977 -0.33166 0.13357 0.16264 0.34260 0.20741
|
||||
3*0.0 0.13695 -0.06795 0.14887 -0.06560 -0.13867 -0.24101 -0.16257 3*0.0 -0.19542 0.09943 -0.32794 0.12304 0.15183 0.32513 0.19430
|
||||
3*0.0 0.12884 -0.06133 0.14762 -0.06084 -0.12802 -0.22862 -0.15210 3*0.0 -0.18715 0.08986 -0.32235 0.11307 0.14129 0.30764 0.18157
|
||||
3*0.0 0.12095 -0.05529 0.14556 -0.05633 -0.11795 -0.21627 -0.14199 3*0.0 -0.17845 0.08102 -0.31513 0.10368 0.13108 0.29023 0.16927
|
||||
3*0.0 0.11333 -0.04980 0.14280 -0.05207 -0.10846 -0.20404 -0.13226 3*0.0 -0.16947 0.07289 -0.30650 0.09486 0.12124 0.27304 0.15743
|
||||
3*0.0 0.10599 -0.04481 0.13943 -0.04804 -0.09954 -0.19200 -0.12294 3*0.0 -0.16032 0.06542 -0.29668 0.08660 0.11181 0.25615 0.14609
|
||||
3*0.0 0.09895 -0.04027 0.13557 -0.04425 -0.09119 -0.18024 -0.11406 3*0.0 -0.15110 0.05858 -0.28590 0.07889 0.10281 0.23965 0.13526
|
||||
3*0.0 0.09222 -0.03616 0.13129 -0.04070 -0.08338 -0.16879 -0.10562 3*0.0 -0.14191 0.05233 -0.27434 0.07171 0.09427 0.22362 0.12496
|
||||
3*0.0 0.08580 -0.03243 0.12668 -0.03737 -0.07610 -0.15772 -0.09762 3*0.0 -0.13282 0.04664 -0.26219 0.06504 0.08619 0.20812 0.11520
|
||||
3*0.0 0.07969 -0.02905 0.12182 -0.03426 -0.06934 -0.14705 -0.09007 3*0.0 -0.12390 0.04147 -0.24962 0.05887 0.07858 0.19320 0.10598
|
||||
3*0.0 0.07390 -0.02599 0.11678 -0.03137 -0.06306 -0.13681 -0.08297 3*0.0 -0.11521 0.03678 -0.23678 0.05317 0.07145 0.17890 0.09731
|
||||
3*0.0 0.06842 -0.02323 0.11160 -0.02867 -0.05725 -0.12702 -0.07630 3*0.0 -0.10680 0.03254 -0.22382 0.04792 0.06478 0.16526 0.08916
|
||||
3*0.0 0.06325 -0.02073 0.10635 -0.02617 -0.05189 -0.11771 -0.07006 3*0.0 -0.09869 0.02871 -0.21086 0.04310 0.05857 0.15228 0.08154
|
||||
3*0.0 0.05838 -0.01848 0.10107 -0.02385 -0.04695 -0.10886 -0.06422 3*0.0 -0.09093 0.02527 -0.19801 0.03868 0.05280 0.13999 0.07443
|
||||
3*0.0 0.05381 -0.01645 0.09580 -0.02170 -0.04240 -0.10050 -0.05879 3*0.0 -0.08353 0.02218 -0.18535 0.03463 0.04747 0.12839 0.06781
|
||||
3*0.0 0.04951 -0.01463 0.09058 -0.01972 -0.03822 -0.09260 -0.05374 3*0.0 -0.07651 0.01940 -0.17298 0.03095 0.04255 0.11748 0.06166
|
||||
3*0.0 0.04549 -0.01299 0.08544 -0.01790 -0.03440 -0.08518 -0.04906 3*0.0 -0.06987 0.01693 -0.16096 0.02759 0.03803 0.10725 0.05597
|
||||
3*0.0 0.04173 -0.01151 0.08041 -0.01622 -0.03090 -0.07821 -0.04472 3*0.0 -0.06362 0.01472 -0.14935 0.02455 0.03388 0.09769 0.05072
|
||||
3*0.0 0.03822 -0.01019 0.07550 -0.01467 -0.02770 -0.07169 -0.04071 3*0.0 -0.05777 0.01276 -0.13818 0.02179 0.03009 0.08878 0.04587
|
||||
3*0.0 0.03495 -0.00900 0.07074 -0.01326 -0.02479 -0.06560 -0.03701 3*0.0 -0.05230 0.01101 -0.12750 0.01930 0.02664 0.08050 0.04142
|
||||
3*0.0 0.03191 -0.00794 0.06614 -0.01196 -0.02214 -0.05993 -0.03361 3*0.0 -0.04721 0.00947 -0.11733 0.01705 0.02351 0.07283 0.03733
|
||||
3*0.0 0.02908 -0.00699 0.06171 -0.01077 -0.01973 -0.05466 -0.03048 3*0.0 -0.04249 0.00811 -0.10768 0.01502 0.02067 0.06575 0.03359
|
||||
3*0.0 0.02646 -0.00614 0.05746 -0.00969 -0.01755 -0.04978 -0.02761 3*0.0 -0.03812 0.00691 -0.09856 0.01321 0.01810 0.05922 0.03017
|
||||
3*0.0 0.02404 -0.00539 0.05339 -0.00871 -0.01558 -0.04525 -0.02498 3*0.0 -0.03410 0.00586 -0.08998 0.01158 0.01579 0.05322 0.02705
|
||||
3*0.0 0.02180 -0.00472 0.04952 -0.00781 -0.01379 -0.04108 -0.02257 3*0.0 -0.03040 0.00494 -0.08193 0.01013 0.01372 0.04771 0.02421
|
||||
3*0.0 0.01974 -0.00412 0.04584 -0.00699 -0.01218 -0.03722 -0.02037 3*0.0 -0.02702 0.00414 -0.07441 0.00883 0.01186 0.04268 0.02164
|
||||
3*0.0 0.01784 -0.00359 0.04235 -0.00625 -0.01074 -0.03368 -0.01836 3*0.0 -0.02392 0.00344 -0.06740 0.00767 0.01021 0.03809 0.01930
|
||||
3*0.0 0.01609 -0.00312 0.03906 -0.00558 -0.00944 -0.03043 -0.01653 3*0.0 -0.02111 0.00283 -0.06089 0.00665 0.00873 0.03392 0.01719
|
||||
3*0.0 0.01448 -0.00270 0.03595 -0.00497 -0.00827 -0.02744 -0.01487 3*0.0 -0.01856 0.00231 -0.05487 0.00574 0.00742 0.03012 0.01528
|
||||
3*0.0 0.01301 -0.00233 0.03303 -0.00443 -0.00723 -0.02471 -0.01336 3*0.0 -0.01624 0.00186 -0.04931 0.00494 0.00627 0.02669 0.01356
|
||||
3*0.0 0.01167 -0.00201 0.03029 -0.00393 -0.00630 -0.02222 -0.01199 3*0.0 -0.01416 0.00147 -0.04419 0.00423 0.00525 0.02359 0.01201
|
||||
3*0.0 0.01044 -0.00172 0.02773 -0.00349 -0.00547 -0.01994 -0.01075 3*0.0 -0.01228 0.00114 -0.03949 0.00361 0.00436 0.02079 0.01062
|
||||
3*0.0 0.00932 -0.00147 0.02534 -0.00309 -0.00473 -0.01787 -0.00962 3*0.0 -0.01060 0.00087 -0.03519 0.00306 0.00358 0.01827 0.00937
|
||||
3*0.0 0.00830 -0.00125 0.02311 -0.00273 -0.00407 -0.01599 -0.00861 3*0.0 -0.00910 0.00063 -0.03127 0.00258 0.00290 0.01601 0.00825
|
||||
3*0.0 0.00737 -0.00106 0.02104 -0.00241 -0.00349 -0.01428 -0.00769 3*0.0 -0.00776 0.00043 -0.02770 0.00217 0.00231 0.01399 0.00725
|
||||
3*0.0 0.00653 -0.00089 0.01912 -0.00212 -0.00298 -0.01273 -0.00686 3*0.0 -0.00657 0.00027 -0.02445 0.00181 0.00180 0.01219 0.00636
|
||||
3*0.0 0.00577 -0.00075 0.01734 -0.00186 -0.00253 -0.01133 -0.00612 3*0.0 -0.00552 0.00013 -0.02152 0.00149 0.00136 0.01058 0.00557
|
||||
3*0.0 0.00509 -0.00062 0.01570 -0.00163 -0.00213 -0.01007 -0.00545 3*0.0 -0.00459 0.00002 -0.01887 0.00122 0.00099 0.00915 0.00486
|
||||
3*0.0 0.00447 -0.00051 0.01418 -0.00143 -0.00178 -0.00893 -0.00484 3*0.0 -0.00377 -0.00007 -0.01648 0.00099 0.00067 0.00788 0.00424
|
||||
3*0.0 0.00391 -0.00041 0.01279 -0.00125 -0.00148 -0.00791 -0.00430 3*0.0 -0.00306 -0.00014 -0.01434 0.00079 0.00041 0.00676 0.00368
|
||||
3*0.0 0.00341 -0.00033 0.01151 -0.00108 -0.00121 -0.00698 -0.00382 3*0.0 -0.00244 -0.00019 -0.01242 0.00062 0.00018 0.00578 0.00319
|
||||
3*0.0 0.00297 -0.00026 0.01034 -0.00094 -0.00098 -0.00616 -0.00338 3*0.0 -0.00190 -0.00024 -0.01071 0.00047 0.0 0.00491 0.00276
|
||||
3*0.0 0.00257 -0.00020 0.00927 -0.00081 -0.00079 -0.00542 -0.00299 3*0.0 -0.00144 -0.00027 -0.00918 0.00035 -0.00015 0.00415 0.00238
|
||||
3*0.0 0.00221 -0.00015 0.00829 -0.00070 -0.00062 -0.00476 -0.00265 3*0.0 -0.00104 -0.00029 -0.00783 0.00025 -0.00027 0.00348 0.00205
|
||||
3*0.0 0.00189 -0.00011 0.00740 -0.00060 -0.00047 -0.00417 -0.00234 3*0.0 -0.00070 -0.00030 -0.00663 0.00016 -0.00037 0.00290 0.00175
|
||||
3*0.0 0.00161 -0.00008 0.00659 -0.00052 -0.00034 -0.00364 -0.00206 3*0.0 -0.00042 -0.00031 -0.00557 0.00009 -0.00044 0.00240 0.00150
|
||||
3*0.0 0.00136 -0.00005 0.00586 -0.00044 -0.00024 -0.00318 -0.00182 3*0.0 -0.00017 -0.00031 -0.00464 0.00003 -0.00050 0.00196 0.00127
|
||||
3*0.0 0.00114 -0.00002 0.00520 -0.00038 -0.00015 -0.00276 -0.00160 3*0.0 0.00003 -0.00031 -0.00383 -0.00001 -0.00054 0.00158 0.00108
|
||||
3*0.0 0.00095 0.0 0.00459 -0.00032 -0.00007 -0.00239 -0.00140 3*0.0 0.00019 -0.00031 -0.00312 -0.00005 -0.00057 0.00126 0.00091
|
||||
3*0.0 0.00078 0.00002 0.00405 -0.00027 -0.00001 -0.00207 -0.00123 3*0.0 0.00032 -0.00030 -0.00250 -0.00008 -0.00058 0.00098 0.00076
|
||||
3*0.0 0.00063 0.00003 0.00356 -0.00022 0.00004 -0.00178 -0.00108 3*0.0 0.00043 -0.00029 -0.00196 -0.00010 -0.00059 0.00075 0.00063
|
||||
3*0.0 0.00051 0.00004 0.00313 -0.00019 0.00008 -0.00153 -0.00094 3*0.0 0.00051 -0.00028 -0.00150 -0.00012 -0.00059 0.00055 0.00052
|
||||
3*0.0 0.00039 0.00005 0.00273 -0.00015 0.00011 -0.00131 -0.00082 3*0.0 0.00057 -0.00026 -0.00111 -0.00013 -0.00058 0.00038 0.00043
|
||||
3*0.0 0.00030 0.00005 0.00238 -0.00013 0.00014 -0.00111 -0.00072 3*0.0 0.00062 -0.00025 -0.00077 -0.00014 -0.00057 0.00024 0.00035
|
||||
3*0.0 0.00022 0.00006 0.00207 -0.00010 0.00016 -0.00094 -0.00062 3*0.0 0.00065 -0.00023 -0.00049 -0.00015 -0.00055 0.00012 0.00028
|
||||
3*0.0 0.00015 0.00006 0.00179 -0.00008 0.00017 -0.00080 -0.00054 3*0.0 0.00067 -0.00022 -0.00025 -0.00015 -0.00053 0.00003 0.00022
|
||||
3*0.0 0.00009 0.00006 0.00154 -0.00006 0.00018 -0.00067 -0.00047 3*0.0 0.00068 -0.00021 -0.00005 -0.00015 -0.00051 -0.00005 0.00017
|
||||
3*0.0 0.00004 0.00006 0.00132 -0.00005 0.00019 -0.00056 -0.00041 3*0.0 0.00068 -0.00019 0.00011 -0.00015 -0.00049 -0.00011 0.00013
|
||||
4*0.0 0.00006 0.00113 -0.00004 0.00019 -0.00046 -0.00035 3*0.0 0.00067 -0.00018 0.00024 -0.00015 -0.00046 -0.00016 0.00009
|
||||
3*0.0 -0.00004 0.00006 0.00096 -0.00002 0.00019 -0.00038 -0.00030 3*0.0 0.00066 -0.00017 0.00035 -0.00014 -0.00044 -0.00020 0.00006
|
||||
3*0.0 -0.00007 0.00006 0.00080 -0.00002 0.00019 -0.00030 -0.00026 3*0.0 0.00064 -0.00015 0.00043 -0.00014 -0.00041 -0.00022 0.00004
|
||||
3*0.0 -0.00009 0.00006 0.00067 -0.00001 0.00019 -0.00024 -0.00022 3*0.0 0.00062 -0.00014 0.00050 -0.00013 -0.00039 -0.00024 0.00002
|
||||
3*0.0 -0.00011 0.00005 0.00056 0.0 0.00018 -0.00019 -0.00019 3*0.0 0.00059 -0.00013 0.00055 -0.00012 -0.00036 -0.00026 0.0
|
||||
3*0.0 -0.00012 0.00005 0.00046 0.0 0.00018 -0.00015 -0.00016 3*0.0 0.00057 -0.00012 0.00058 -0.00012 -0.00034 -0.00026 -0.00001
|
||||
3*0.0 -0.00013 0.00005 0.00037 0.00001 0.00017 -0.00011 -0.00014 3*0.0 0.00054 -0.00011 0.00060 -0.00011 -0.00031 -0.00027 -0.00002
|
||||
3*0.0 -0.00014 0.00005 0.00029 0.00001 0.00016 -0.00008 -0.00012 3*0.0 0.00051 -0.00010 0.00061 -0.00010 -0.00029 -0.00027 -0.00003
|
||||
3*0.0 -0.00014 0.00004 0.00023 0.00001 0.00015 -0.00005 -0.00010 3*0.0 0.00048 -0.00009 0.00061 -0.00010 -0.00027 -0.00026 -0.00004
|
||||
3*0.0 -0.00014 0.00004 0.00017 0.00001 0.00015 -0.00003 -0.00008 3*0.0 0.00045 -0.00008 0.00061 -0.00009 -0.00025 -0.00026 -0.00004
|
||||
3*0.0 -0.00014 0.00004 0.00013 0.00001 0.00014 -0.00001 -0.00007 3*0.0 0.00042 -0.00008 0.00060 -0.00008 -0.00023 -0.00025 -0.00004
|
||||
3*0.0 -0.00014 0.00004 0.00009 0.00001 0.00013 0.0 -0.00006 3*0.0 0.00040 -0.00007 0.00058 -0.00008 -0.00021 -0.00024 -0.00005
|
||||
3*0.0 -0.00014 0.00003 0.00005 0.00002 0.00012 0.00002 -0.00005 3*0.0 0.00037 -0.00006 0.00057 -0.00007 -0.00020 -0.00023 -0.00005
|
||||
3*0.0 -0.00014 0.00003 0.00003 0.00002 0.00011 0.00002 -0.00004 3*0.0 0.00034 -0.00006 0.00055 -0.00007 -0.00018 -0.00022 -0.00005
|
||||
3*0.0 -0.00013 0.00003 0.0 0.00002 0.00011 0.00003 -0.00003 3*0.0 0.00032 -0.00005 0.00052 -0.00006 -0.00016 -0.00021 -0.00005
|
||||
3*0.0 -0.00013 0.00003 -0.00002 0.00002 0.00010 0.00004 -0.00003 3*0.0 0.00030 -0.00005 0.00050 -0.00006 -0.00015 -0.00019 -0.00005
|
||||
3*0.0 -0.00012 0.00002 -0.00003 0.00001 0.00009 0.00004 -0.00002 3*0.0 0.00027 -0.00004 0.00047 -0.00005 -0.00014 -0.00018 -0.00005
|
||||
3*0.0 -0.00012 0.00002 -0.00004 0.00001 0.00009 0.00004 -0.00002 3*0.0 0.00025 -0.00004 0.00045 -0.00005 -0.00012 -0.00017 -0.00004
|
||||
3*0.0 -0.00011 0.00002 -0.00005 0.00001 0.00008 0.00005 -0.00001 3*0.0 0.00023 -0.00003 0.00042 -0.00004 -0.00011 -0.00016 -0.00004
|
||||
3*0.0 -0.00010 0.00002 -0.00006 0.00001 0.00007 0.00005 -0.00001 3*0.0 0.00021 -0.00003 0.00040 -0.00004 -0.00010 -0.00015 -0.00004
|
||||
3*0.0 -0.00010 0.00002 -0.00007 0.00001 0.00007 0.00005 -0.00001 3*0.0 0.00019 -0.00003 0.00037 -0.00004 -0.00009 -0.00014 -0.00004
|
||||
3*0.0 -0.00009 0.00002 -0.00007 0.00001 0.00006 0.00005 4*0.0 0.00018 -0.00002 0.00035 -0.00003 -0.00008 -0.00013 -0.00004
|
||||
3*0.0 -0.00009 0.00001 -0.00007 0.00001 0.00006 0.00004 4*0.0 0.00016 -0.00002 0.00033 -0.00003 -0.00008 -0.00012 -0.00003
|
||||
3*0.0 -0.00008 0.00001 -0.00007 0.00001 0.00005 0.00004 4*0.0 0.00015 -0.00002 0.00030 -0.00003 -0.00007 -0.00011 -0.00003
|
||||
3*0.0 -0.00008 0.00001 -0.00007 0.00001 0.00005 0.00004 4*0.0 0.00013 -0.00002 0.00028 -0.00003 -0.00006 -0.00010 -0.00003
|
||||
3*0.0 -0.00007 0.00001 -0.00007 0.00001 0.00004 0.00004 4*0.0 0.00012 -0.00002 0.00026 -0.00002 -0.00006 -0.00009 -0.00003
|
||||
3*0.0 -0.00007 0.00001 -0.00007 0.00001 0.00004 0.00004 4*0.0 0.00011 -0.00001 0.00024 -0.00002 -0.00005 -0.00008 -0.00003
|
||||
3*0.0 -0.00006 0.00001 -0.00007 0.00001 0.00004 0.00004 4*0.0 0.00010 -0.00001 0.00022 -0.00002 -0.00005 -0.00008 -0.00002
|
||||
3*0.0 -0.00006 0.00001 -0.00007 0.00001 0.00003 0.00003 4*0.0 0.00009 -0.00001 0.00020 -0.00002 -0.00004 -0.00007 -0.00002
|
||||
3*0.0 -0.00005 0.00001 -0.00006 0.00001 0.00003 0.00003 4*0.0 0.00008 -0.00001 0.00019 -0.00002 -0.00004 -0.00006 -0.00002
|
||||
3*0.0 -0.00005 0.00001 -0.00006 0.00001 0.00003 0.00003 4*0.0 0.00007 -0.00001 0.00017 -0.00001 -0.00003 -0.00006 -0.00002
|
||||
3*0.0 -0.00004 0.00001 -0.00006 0.00001 0.00003 0.00003 4*0.0 0.00007 -0.00001 0.00016 -0.00001 -0.00003 -0.00005 -0.00002
|
||||
3*0.0 -0.00004 0.00001 -0.00006 0.00001 0.00002 0.00003 4*0.0 0.00006 -0.00001 0.00015 -0.00001 -0.00003 -0.00005 -0.00002
|
||||
3*0.0 -0.00004 0.0 -0.00005 0.0 0.00002 0.00002 4*0.0 0.00005 -0.00001 0.00013 -0.00001 -0.00002 -0.00004 -0.00001
|
||||
3*0.0 -0.00003 0.0 -0.00005 0.0 0.00002 0.00002 4*0.0 0.00005 0.0 0.00012 -0.00001 -0.00002 -0.00004 -0.00001
|
||||
3*0.0 -0.00003 0.0 -0.00005 0.0 0.00002 0.00002 4*0.0 0.00004 0.0 0.00011 -0.00001 -0.00002 -0.00004 -0.00001
|
||||
3*0.0 -0.00003 0.0 -0.00004 0.0 0.00002 0.00002 4*0.0 0.00004 0.0 0.00010 -0.00001 -0.00002 -0.00003 -0.00001
|
||||
3*0.0 -0.00003 0.0 -0.00004 0.0 0.00001 0.00002 4*0.0 0.00003 0.0 0.00009 -0.00001 -0.00001 -0.00003 -0.00001
|
||||
3*0.0 -0.00002 0.0 -0.00004 0.0 0.00001 0.00002 4*0.0 0.00003 0.0 0.00008 -0.00001 -0.00001 -0.00003 -0.00001
|
||||
201
tests/DFTB/nonscc/snb
Normal file
201
tests/DFTB/nonscc/snb
Normal file
|
|
@ -0,0 +1,201 @@
|
|||
0.1, 200,
|
||||
0.0, 0.1819984589 -0.2293276827 0.1217709688 5*0.0, 5.0, 5.0, 9*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
3*0.0 -0.07417 0.76798 0.27121 -0.36970 -0.27429 0.10731 0.01343 3*0.0 -0.21618 -0.21107 -0.40049 -0.36630 0.01828 -0.15333 0.40153
|
||||
3*0.0 -0.17537 0.56498 0.43122 -0.22188 -0.12563 0.09224 -0.03517 3*0.0 -0.25461 -0.25041 -0.41542 -0.37473 0.02072 -0.18997 0.41162
|
||||
3*0.0 -0.10347 0.42748 0.41732 -0.11244 -0.12138 0.14490 -0.10800 3*0.0 -0.29291 -0.28771 -0.42445 -0.38234 0.02439 -0.22598 0.42160
|
||||
3*0.0 0.05338 0.35929 0.32338 -0.04301 -0.19662 0.23428 -0.19135 3*0.0 -0.33008 -0.32372 -0.42847 -0.38870 0.02841 -0.26059 0.43088
|
||||
3*0.0 0.22500 0.34472 0.21991 -0.00383 -0.28962 0.32011 -0.26216 3*0.0 -0.36390 -0.35847 -0.42927 -0.39374 0.03107 -0.29258 0.43864
|
||||
3*0.0 0.36973 0.36428 0.14347 0.01645 -0.36218 0.37890 -0.30805 3*0.0 -0.39198 -0.39148 -0.42846 -0.39765 0.03065 -0.32091 0.44428
|
||||
3*0.0 0.46937 0.40122 0.10499 0.02691 -0.39793 0.40445 -0.32797 3*0.0 -0.41239 -0.42211 -0.42703 -0.40066 0.02595 -0.34508 0.44758
|
||||
3*0.0 0.52093 0.44332 0.10082 0.03359 -0.39500 0.40128 -0.32737 3*0.0 -0.42388 -0.44970 -0.42525 -0.40298 0.01639 -0.36511 0.44869
|
||||
3*0.0 0.52976 0.48267 0.12122 0.03991 -0.35929 0.37838 -0.31386 3*0.0 -0.42597 -0.47367 -0.42283 -0.40474 0.00200 -0.38146 0.44801
|
||||
3*0.0 0.50479 0.51478 0.15539 0.04742 -0.29970 0.34511 -0.29447 3*0.0 -0.41880 -0.49361 -0.41914 -0.40600 -0.01672 -0.39479 0.44602
|
||||
3*0.0 0.45570 0.53763 0.19406 0.05651 -0.22539 0.30921 -0.27454 3*0.0 -0.40301 -0.50927 -0.41342 -0.40675 -0.03899 -0.40586 0.44322
|
||||
3*0.0 0.39135 0.55080 0.23039 0.06692 -0.14438 0.27614 -0.25747 3*0.0 -0.37959 -0.52057 -0.40495 -0.40693 -0.06384 -0.41538 0.44003
|
||||
3*0.0 0.31909 0.55487 0.25997 0.07811 -0.06295 0.24916 -0.24498 3*0.0 -0.34973 -0.52757 -0.39314 -0.40646 -0.09028 -0.42392 0.43675
|
||||
3*0.0 0.24459 0.55094 0.28048 0.08945 0.01436 0.22974 -0.23753 3*0.0 -0.31471 -0.53042 -0.37757 -0.40524 -0.11732 -0.43195 0.43357
|
||||
3*0.0 0.17197 0.54035 0.29115 0.10041 0.08459 0.21808 -0.23479 3*0.0 -0.27580 -0.52939 -0.35805 -0.40317 -0.14409 -0.43974 0.43056
|
||||
3*0.0 0.10399 0.52445 0.29228 0.11052 0.14609 0.21351 -0.23594 3*0.0 -0.23423 -0.52479 -0.33457 -0.40020 -0.16985 -0.44746 0.42772
|
||||
3*0.0 0.04231 0.50451 0.28487 0.11945 0.19816 0.21494 -0.23997 3*0.0 -0.19114 -0.51698 -0.30728 -0.39625 -0.19397 -0.45512 0.42498
|
||||
3*0.0 -0.01219 0.48168 0.27026 0.12701 0.24080 0.22103 -0.24585 3*0.0 -0.14753 -0.50633 -0.27649 -0.39129 -0.21601 -0.46268 0.42221
|
||||
3*0.0 -0.05926 0.45692 0.24992 0.13308 0.27449 0.23047 -0.25267 3*0.0 -0.10429 -0.49322 -0.24263 -0.38532 -0.23561 -0.47001 0.41928
|
||||
3*0.0 -0.09904 0.43105 0.22531 0.13763 0.29998 0.24203 -0.25962 3*0.0 -0.06218 -0.47803 -0.20619 -0.37833 -0.25258 -0.47694 0.41605
|
||||
3*0.0 -0.13193 0.40472 0.19778 0.14072 0.31815 0.25464 -0.26610 3*0.0 -0.02180 -0.46113 -0.16773 -0.37036 -0.26681 -0.48326 0.41236
|
||||
3*0.0 -0.15849 0.37843 0.16852 0.14242 0.32994 0.26741 -0.27164 3*0.0 0.01633 -0.44286 -0.12787 -0.36146 -0.27826 -0.48878 0.40811
|
||||
3*0.0 -0.17936 0.35259 0.13852 0.14285 0.33628 0.27964 -0.27592 3*0.0 0.05183 -0.42354 -0.08719 -0.35170 -0.28699 -0.49330 0.40318
|
||||
3*0.0 -0.19519 0.32750 0.10863 0.14214 0.33804 0.29079 -0.27875 3*0.0 0.08441 -0.40347 -0.04629 -0.34114 -0.29309 -0.49665 0.39749
|
||||
3*0.0 -0.20663 0.30335 0.07948 0.14042 0.33600 0.30048 -0.28004 3*0.0 0.11388 -0.38291 -0.00575 -0.32989 -0.29670 -0.49866 0.39099
|
||||
3*0.0 -0.21429 0.28030 0.05160 0.13783 0.33087 0.30846 -0.27978 3*0.0 0.14013 -0.36211 0.03390 -0.31802 -0.29800 -0.49923 0.38366
|
||||
3*0.0 -0.21870 0.25844 0.02534 0.13451 0.32326 0.31458 -0.27800 3*0.0 0.16310 -0.34127 0.07217 -0.30565 -0.29717 -0.49825 0.37547
|
||||
3*0.0 -0.22042 0.23783 0.00097 0.13059 0.31372 0.31877 -0.27478 3*0.0 0.18283 -0.32058 0.10862 -0.29287 -0.29441 -0.49567 0.36646
|
||||
3*0.0 -0.21987 0.21847 -0.02135 0.12619 0.30269 0.32105 -0.27025 3*0.0 0.19938 -0.30020 0.14290 -0.27978 -0.28993 -0.49147 0.35665
|
||||
3*0.0 -0.21743 0.20037 -0.04153 0.12141 0.29056 0.32145 -0.26453 3*0.0 0.21287 -0.28027 0.17468 -0.26648 -0.28393 -0.48566 0.34609
|
||||
3*0.0 -0.21347 0.18349 -0.05954 0.11634 0.27766 0.32008 -0.25777 3*0.0 0.22343 -0.26091 0.20372 -0.25307 -0.27662 -0.47827 0.33486
|
||||
3*0.0 -0.20829 0.16781 -0.07539 0.11109 0.26426 0.31705 -0.25011 3*0.0 0.23124 -0.24219 0.22984 -0.23964 -0.26820 -0.46936 0.32303
|
||||
3*0.0 -0.20215 0.15327 -0.08916 0.10571 0.25058 0.31250 -0.24169 3*0.0 0.23650 -0.22420 0.25290 -0.22627 -0.25885 -0.45903 0.31067
|
||||
3*0.0 -0.19527 0.13982 -0.10092 0.10028 0.23681 0.30658 -0.23265 3*0.0 0.23940 -0.20699 0.27286 -0.21305 -0.24876 -0.44737 0.29789
|
||||
3*0.0 -0.18784 0.12741 -0.11078 0.09485 0.22310 0.29944 -0.22313 3*0.0 0.24017 -0.19061 0.28968 -0.20003 -0.23808 -0.43451 0.28477
|
||||
3*0.0 -0.18003 0.11597 -0.11885 0.08947 0.20959 0.29125 -0.21325 3*0.0 0.23902 -0.17507 0.30341 -0.18729 -0.22697 -0.42059 0.27142
|
||||
3*0.0 -0.17197 0.10545 -0.12528 0.08418 0.19636 0.28216 -0.20313 3*0.0 0.23617 -0.16040 0.31412 -0.17489 -0.21558 -0.40573 0.25791
|
||||
3*0.0 -0.16378 0.09579 -0.13018 0.07901 0.18351 0.27231 -0.19287 3*0.0 0.23182 -0.14660 0.32191 -0.16286 -0.20402 -0.39009 0.24435
|
||||
3*0.0 -0.15555 0.08692 -0.13369 0.07398 0.17108 0.26186 -0.18257 3*0.0 0.22620 -0.13366 0.32694 -0.15125 -0.19242 -0.37381 0.23081
|
||||
3*0.0 -0.14737 0.07880 -0.13595 0.06913 0.15913 0.25095 -0.17232 3*0.0 0.21948 -0.12157 0.32936 -0.14010 -0.18087 -0.35703 0.21738
|
||||
3*0.0 -0.13928 0.07137 -0.13708 0.06445 0.14769 0.23970 -0.16217 3*0.0 0.21187 -0.11032 0.32936 -0.12942 -0.16946 -0.33991 0.20414
|
||||
3*0.0 -0.13136 0.06458 -0.13720 0.05997 0.13679 0.22822 -0.15221 3*0.0 0.20353 -0.09987 0.32715 -0.11925 -0.15828 -0.32256 0.19115
|
||||
3*0.0 -0.12364 0.05837 -0.13644 0.05569 0.12643 0.21664 -0.14249 3*0.0 0.19463 -0.09020 0.32293 -0.10959 -0.14737 -0.30514 0.17846
|
||||
3*0.0 -0.11614 0.05271 -0.13490 0.05162 0.11663 0.20504 -0.13304 3*0.0 0.18532 -0.08128 0.31691 -0.10044 -0.13681 -0.28775 0.16615
|
||||
3*0.0 -0.10890 0.04755 -0.13269 0.04775 0.10738 0.19351 -0.12391 3*0.0 0.17573 -0.07307 0.30932 -0.09183 -0.12662 -0.27051 0.15424
|
||||
3*0.0 -0.10194 0.04286 -0.12991 0.04410 0.09868 0.18213 -0.11514 3*0.0 0.16598 -0.06554 0.30036 -0.08373 -0.11686 -0.25351 0.14278
|
||||
3*0.0 -0.09525 0.03859 -0.12663 0.04065 0.09052 0.17096 -0.10673 3*0.0 0.15618 -0.05865 0.29024 -0.07615 -0.10754 -0.23685 0.13180
|
||||
3*0.0 -0.08886 0.03470 -0.12295 0.03740 0.08289 0.16007 -0.09871 3*0.0 0.14642 -0.05236 0.27916 -0.06907 -0.09868 -0.22062 0.12133
|
||||
3*0.0 -0.08277 0.03118 -0.11894 0.03436 0.07577 0.14949 -0.09109 3*0.0 0.13680 -0.04664 0.26731 -0.06249 -0.09030 -0.20487 0.11137
|
||||
3*0.0 -0.07697 0.02798 -0.11466 0.03151 0.06914 0.13927 -0.08388 3*0.0 0.12736 -0.04144 0.25487 -0.05638 -0.08239 -0.18967 0.10194
|
||||
3*0.0 -0.07146 0.02508 -0.11017 0.02884 0.06298 0.12944 -0.07707 3*0.0 0.11819 -0.03674 0.24202 -0.05073 -0.07497 -0.17506 0.09305
|
||||
3*0.0 -0.06625 0.02246 -0.10553 0.02636 0.05728 0.12001 -0.07066 3*0.0 0.10932 -0.03249 0.22889 -0.04553 -0.06803 -0.16109 0.08470
|
||||
3*0.0 -0.06133 0.02009 -0.10079 0.02404 0.05200 0.11102 -0.06465 3*0.0 0.10079 -0.02866 0.21564 -0.04075 -0.06156 -0.14777 0.07688
|
||||
3*0.0 -0.05668 0.01794 -0.09600 0.02189 0.04713 0.10247 -0.05903 3*0.0 0.09263 -0.02522 0.20238 -0.03637 -0.05555 -0.13515 0.06958
|
||||
3*0.0 -0.05230 0.01601 -0.09118 0.01990 0.04264 0.09436 -0.05379 3*0.0 0.08487 -0.02214 0.18923 -0.03236 -0.04998 -0.12321 0.06279
|
||||
3*0.0 -0.04819 0.01426 -0.08637 0.01806 0.03852 0.08670 -0.04891 3*0.0 0.07752 -0.01938 0.17628 -0.02872 -0.04484 -0.11198 0.05651
|
||||
3*0.0 -0.04433 0.01269 -0.08161 0.01636 0.03474 0.07948 -0.04439 3*0.0 0.07059 -0.01692 0.16363 -0.02541 -0.04012 -0.10145 0.05070
|
||||
3*0.0 -0.04072 0.01127 -0.07692 0.01479 0.03127 0.07271 -0.04020 3*0.0 0.06409 -0.01473 0.15134 -0.02241 -0.03578 -0.09161 0.04535
|
||||
3*0.0 -0.03734 0.01000 -0.07232 0.01335 0.02811 0.06636 -0.03634 3*0.0 0.05800 -0.01279 0.13948 -0.01970 -0.03182 -0.08245 0.04045
|
||||
3*0.0 -0.03418 0.00886 -0.06783 0.01203 0.02522 0.06044 -0.03278 3*0.0 0.05233 -0.01107 0.12808 -0.01727 -0.02820 -0.07396 0.03597
|
||||
3*0.0 -0.03124 0.00784 -0.06346 0.01081 0.02258 0.05492 -0.02951 3*0.0 0.04707 -0.00955 0.11720 -0.01508 -0.02492 -0.06611 0.03188
|
||||
3*0.0 -0.02851 0.00692 -0.05923 0.00970 0.02019 0.04980 -0.02651 3*0.0 0.04221 -0.00822 0.10685 -0.01313 -0.02195 -0.05889 0.02817
|
||||
3*0.0 -0.02597 0.00610 -0.05516 0.00869 0.01802 0.04505 -0.02377 3*0.0 0.03773 -0.00704 0.09706 -0.01139 -0.01926 -0.05226 0.02481
|
||||
3*0.0 -0.02361 0.00537 -0.05124 0.00777 0.01605 0.04067 -0.02126 3*0.0 0.03361 -0.00602 0.08785 -0.00984 -0.01685 -0.04620 0.02177
|
||||
3*0.0 -0.02143 0.00472 -0.04748 0.00693 0.01427 0.03663 -0.01898 3*0.0 0.02984 -0.00512 0.07920 -0.00846 -0.01468 -0.04068 0.01904
|
||||
3*0.0 -0.01941 0.00414 -0.04390 0.00616 0.01266 0.03291 -0.01691 3*0.0 0.02641 -0.00434 0.07113 -0.00725 -0.01274 -0.03567 0.01660
|
||||
3*0.0 -0.01755 0.00362 -0.04048 0.00547 0.01121 0.02950 -0.01503 3*0.0 0.02329 -0.00367 0.06363 -0.00619 -0.01101 -0.03114 0.01441
|
||||
3*0.0 -0.01584 0.00316 -0.03724 0.00485 0.00991 0.02638 -0.01334 3*0.0 0.02046 -0.00308 0.05668 -0.00525 -0.00947 -0.02706 0.01247
|
||||
3*0.0 -0.01427 0.00276 -0.03418 0.00429 0.00874 0.02353 -0.01180 3*0.0 0.01791 -0.00258 0.05028 -0.00444 -0.00811 -0.02341 0.01074
|
||||
3*0.0 -0.01283 0.00240 -0.03129 0.00378 0.00769 0.02094 -0.01042 3*0.0 0.01561 -0.00214 0.04439 -0.00373 -0.00691 -0.02014 0.00922
|
||||
3*0.0 -0.01150 0.00208 -0.02857 0.00332 0.00675 0.01859 -0.00918 3*0.0 0.01355 -0.00177 0.03901 -0.00312 -0.00585 -0.01723 0.00788
|
||||
3*0.0 -0.01030 0.00180 -0.02602 0.00292 0.00592 0.01645 -0.00807 3*0.0 0.01171 -0.00146 0.03411 -0.00259 -0.00493 -0.01466 0.00670
|
||||
3*0.0 -0.00920 0.00156 -0.02363 0.00255 0.00517 0.01453 -0.00707 3*0.0 0.01007 -0.00119 0.02967 -0.00213 -0.00412 -0.01239 0.00568
|
||||
3*0.0 -0.00819 0.00134 -0.02140 0.00223 0.00451 0.01279 -0.00618 3*0.0 0.00862 -0.00097 0.02565 -0.00175 -0.00342 -0.01040 0.00479
|
||||
3*0.0 -0.00728 0.00115 -0.01933 0.00194 0.00392 0.01123 -0.00539 3*0.0 0.00733 -0.00078 0.02204 -0.00142 -0.00281 -0.00867 0.00402
|
||||
3*0.0 -0.00646 0.00099 -0.01741 0.00168 0.00340 0.00984 -0.00469 3*0.0 0.00620 -0.00062 0.01880 -0.00114 -0.00229 -0.00716 0.00335
|
||||
3*0.0 -0.00571 0.00084 -0.01563 0.00145 0.00294 0.00859 -0.00407 3*0.0 0.00521 -0.00049 0.01592 -0.00091 -0.00185 -0.00587 0.00278
|
||||
3*0.0 -0.00503 0.00072 -0.01399 0.00125 0.00253 0.00747 -0.00352 3*0.0 0.00435 -0.00038 0.01336 -0.00072 -0.00147 -0.00476 0.00230
|
||||
3*0.0 -0.00443 0.00061 -0.01248 0.00108 0.00218 0.00649 -0.00304 3*0.0 0.00359 -0.00029 0.01110 -0.00056 -0.00115 -0.00381 0.00189
|
||||
3*0.0 -0.00388 0.00052 -0.01110 0.00092 0.00186 0.00561 -0.00261 3*0.0 0.00294 -0.00022 0.00912 -0.00044 -0.00088 -0.00302 0.00155
|
||||
3*0.0 -0.00339 0.00043 -0.00983 0.00078 0.00159 0.00484 -0.00224 3*0.0 0.00238 -0.00016 0.00740 -0.00033 -0.00066 -0.00235 0.00127
|
||||
3*0.0 -0.00296 0.00036 -0.00868 0.00067 0.00135 0.00416 -0.00191 3*0.0 0.00191 -0.00012 0.00590 -0.00025 -0.00048 -0.00181 0.00103
|
||||
3*0.0 -0.00257 0.00031 -0.00763 0.00056 0.00115 0.00357 -0.00163 3*0.0 0.00150 -0.00008 0.00461 -0.00019 -0.00033 -0.00136 0.00084
|
||||
3*0.0 -0.00222 0.00025 -0.00669 0.00048 0.00097 0.00305 -0.00139 3*0.0 0.00116 -0.00006 0.00351 -0.00014 -0.00021 -0.00100 0.00068
|
||||
3*0.0 -0.00191 0.00021 -0.00583 0.00040 0.00081 0.00259 -0.00118 3*0.0 0.00087 -0.00004 0.00258 -0.00010 -0.00011 -0.00072 0.00056
|
||||
3*0.0 -0.00164 0.00017 -0.00506 0.00033 0.00068 0.00220 -0.00099 3*0.0 0.00063 -0.00002 0.00180 -0.00008 -0.00004 -0.00051 0.00046
|
||||
3*0.0 -0.00140 0.00014 -0.00437 0.00028 0.00056 0.00187 -0.00084 3*0.0 0.00043 -0.00001 0.00115 -0.00006 0.00002 -0.00035 0.00038
|
||||
3*0.0 -0.00119 0.00012 -0.00375 0.00023 0.00047 0.00158 -0.00070 3*0.0 0.00027 0.0 0.00062 -0.00005 0.00006 -0.00023 0.00033
|
||||
3*0.0 -0.00101 0.00009 -0.00320 0.00019 0.00038 0.00133 -0.00059 3*0.0 0.00014 0.0 0.00020 -0.00004 0.00009 -0.00016 0.00029
|
||||
3*0.0 -0.00085 0.00008 -0.00272 0.00016 0.00031 0.00112 -0.00049 3*0.0 0.00004 0.0 -0.00013 -0.00004 0.00010 -0.00012 0.00026
|
||||
3*0.0 -0.00071 0.00006 -0.00229 0.00013 0.00025 0.00095 -0.00041 3*0.0 -0.00003 0.0 -0.00039 -0.00005 0.00011 -0.00011 0.00024
|
||||
3*0.0 -0.00059 0.00005 -0.00191 0.00010 0.00021 0.00080 -0.00034 3*0.0 -0.00009 0.0 -0.00057 -0.00005 0.00011 -0.00011 0.00023
|
||||
3*0.0 -0.00048 0.00004 -0.00158 0.00008 0.00016 0.00068 -0.00029 3*0.0 -0.00013 0.0 -0.00070 -0.00006 0.00011 -0.00014 0.00022
|
||||
3*0.0 -0.00039 0.00003 -0.00130 0.00007 0.00013 0.00058 -0.00024 3*0.0 -0.00016 0.0 -0.00078 -0.00006 0.00010 -0.00017 0.00022
|
||||
3*0.0 -0.00032 0.00002 -0.00105 0.00006 0.00010 0.00049 -0.00020 3*0.0 -0.00017 -0.00001 -0.00081 -0.00007 0.00009 -0.00022 0.00022
|
||||
3*0.0 -0.00025 0.00002 -0.00084 0.00005 0.00008 0.00043 -0.00017 3*0.0 -0.00018 -0.00001 -0.00082 -0.00008 0.00008 -0.00027 0.00023
|
||||
3*0.0 -0.00020 0.00001 -0.00066 0.00004 0.00006 0.00037 -0.00015 3*0.0 -0.00018 -0.00001 -0.00079 -0.00009 0.00007 -0.00032 0.00023
|
||||
3*0.0 -0.00015 0.00001 -0.00051 0.00003 0.00005 0.00033 -0.00013 3*0.0 -0.00018 -0.00002 -0.00075 -0.00009 0.00005 -0.00037 0.00024
|
||||
3*0.0 -0.00012 0.00001 -0.00038 0.00003 0.00004 0.00030 -0.00011 3*0.0 -0.00017 -0.00002 -0.00068 -0.00010 0.00004 -0.00043 0.00024
|
||||
3*0.0 -0.00009 0.00001 -0.00028 0.00002 0.00003 0.00028 -0.00010 3*0.0 -0.00015 -0.00002 -0.00061 -0.00010 0.00002 -0.00048 0.00025
|
||||
3*0.0 -0.00006 0.00001 -0.00019 0.00002 0.00002 0.00026 -0.00009 3*0.0 -0.00014 -0.00002 -0.00052 -0.00011 0.00001 -0.00052 0.00025
|
||||
3*0.0 -0.00004 0.0 -0.00012 0.00002 0.00002 0.00024 -0.00008 3*0.0 -0.00012 -0.00002 -0.00043 -0.00011 -0.00001 -0.00057 0.00026
|
||||
3*0.0 -0.00002 0.0 -0.00007 0.00002 0.00002 0.00024 -0.00007 3*0.0 -0.00010 -0.00003 -0.00034 -0.00011 -0.00002 -0.00061 0.00026
|
||||
3*0.0 -0.00001 0.0 -0.00003 0.00002 0.00001 0.00023 -0.00007 3*0.0 -0.00008 -0.00003 -0.00024 -0.00012 -0.00003 -0.00064 0.00026
|
||||
6*0.0 0.00002 0.00001 0.00023 -0.00007 3*0.0 -0.00006 -0.00003 -0.00015 -0.00012 -0.00004 -0.00067 0.00026
|
||||
5*0.0 0.00002 0.00002 0.00001 0.00022 -0.00006 3*0.0 -0.00004 -0.00003 -0.00006 -0.00012 -0.00005 -0.00069 0.00025
|
||||
3*0.0 0.00001 0.0 0.00004 0.00002 0.00001 0.00022 -0.00006 3*0.0 -0.00003 -0.00003 0.00003 -0.00012 -0.00006 -0.00071 0.00025
|
||||
3*0.0 0.00001 0.0 0.00004 0.00002 0.00001 0.00022 -0.00006 3*0.0 -0.00001 -0.00003 0.00011 -0.00011 -0.00007 -0.00072 0.00024
|
||||
3*0.0 0.00001 0.0 0.00004 0.00002 0.00001 0.00022 -0.00006 4*0.0 -0.00003 0.00019 -0.00011 -0.00008 -0.00072 0.00023
|
||||
3*0.0 0.00001 0.0 0.00004 0.00002 0.00002 0.00022 -0.00006 3*0.0 0.00002 -0.00003 0.00026 -0.00011 -0.00008 -0.00072 0.00023
|
||||
3*0.0 0.00001 0.0 0.00004 0.00002 0.00002 0.00022 -0.00006 3*0.0 0.00003 -0.00003 0.00033 -0.00010 -0.00009 -0.00072 0.00022
|
||||
3*0.0 0.00001 0.0 0.00003 0.00002 0.00002 0.00022 -0.00006 3*0.0 0.00004 -0.00003 0.00038 -0.00010 -0.00009 -0.00071 0.00021
|
||||
3*0.0 0.00001 0.0 0.00002 0.00002 0.00002 0.00021 -0.00005 3*0.0 0.00005 -0.00003 0.00044 -0.00010 -0.00009 -0.00070 0.00019
|
||||
3*0.0 0.00001 2*0.0 0.00002 0.00002 0.00021 -0.00005 3*0.0 0.00006 -0.00003 0.00048 -0.00009 -0.00009 -0.00068 0.00018
|
||||
3*0.0 0.00001 0.0 -0.00001 0.00002 0.00002 0.00021 -0.00005 3*0.0 0.00006 -0.00002 0.00052 -0.00009 -0.00009 -0.00066 0.00017
|
||||
5*0.0 -0.00002 0.00002 0.00002 0.00020 -0.00005 3*0.0 0.00007 -0.00002 0.00055 -0.00008 -0.00009 -0.00064 0.00016
|
||||
5*0.0 -0.00003 0.00002 0.00002 0.00020 -0.00005 3*0.0 0.00007 -0.00002 0.00057 -0.00008 -0.00009 -0.00061 0.00014
|
||||
5*0.0 -0.00005 0.00002 0.00002 0.00019 -0.00004 3*0.0 0.00008 -0.00002 0.00059 -0.00007 -0.00009 -0.00058 0.00013
|
||||
5*0.0 -0.00006 0.00002 0.00002 0.00018 -0.00004 3*0.0 0.00008 -0.00002 0.00061 -0.00007 -0.00009 -0.00055 0.00012
|
||||
3*0.0 -0.00001 0.0 -0.00007 0.00002 0.00002 0.00017 -0.00004 3*0.0 0.00008 -0.00002 0.00062 -0.00006 -0.00008 -0.00052 0.00010
|
||||
3*0.0 -0.00001 0.0 -0.00008 0.00002 0.00002 0.00017 -0.00004 3*0.0 0.00008 -0.00002 0.00062 -0.00005 -0.00008 -0.00049 0.00009
|
||||
3*0.0 -0.00001 0.0 -0.00009 0.00001 0.00002 0.00016 -0.00003 3*0.0 0.00008 -0.00002 0.00062 -0.00005 -0.00008 -0.00045 0.00008
|
||||
3*0.0 -0.00001 0.0 -0.00010 0.00001 0.00002 0.00015 -0.00003 3*0.0 0.00008 -0.00001 0.00062 -0.00004 -0.00008 -0.00042 0.00006
|
||||
3*0.0 -0.00001 0.0 -0.00011 0.00001 0.00002 0.00014 -0.00003 3*0.0 0.00008 -0.00001 0.00061 -0.00004 -0.00007 -0.00038 0.00005
|
||||
3*0.0 -0.00001 0.0 -0.00011 0.00001 0.00002 0.00013 -0.00002 3*0.0 0.00008 -0.00001 0.00060 -0.00003 -0.00007 -0.00035 0.00004
|
||||
3*0.0 -0.00001 0.0 -0.00012 0.00001 0.00002 0.00011 -0.00002 3*0.0 0.00008 -0.00001 0.00059 -0.00003 -0.00006 -0.00031 0.00003
|
||||
3*0.0 -0.00002 0.0 -0.00012 0.00001 0.00002 0.00010 -0.00002 3*0.0 0.00008 -0.00001 0.00057 -0.00002 -0.00006 -0.00028 0.00001
|
||||
3*0.0 -0.00002 0.0 -0.00012 0.00001 0.00002 0.00009 -0.00001 3*0.0 0.00007 -0.00001 0.00055 -0.00002 -0.00006 -0.00024 0.0
|
||||
3*0.0 -0.00002 0.0 -0.00013 0.00001 0.00002 0.00008 -0.00001 3*0.0 0.00007 -0.00001 0.00053 -0.00002 -0.00005 -0.00021 -0.00001
|
||||
3*0.0 -0.00002 0.0 -0.00013 0.00001 0.00001 0.00007 -0.00001 3*0.0 0.00007 -0.00001 0.00051 -0.00001 -0.00005 -0.00018 -0.00002
|
||||
3*0.0 -0.00002 0.0 -0.00013 0.00001 0.00001 0.00006 4*0.0 0.00007 -0.00001 0.00049 -0.00001 -0.00004 -0.00014 -0.00003
|
||||
3*0.0 -0.00002 0.0 -0.00013 0.00001 0.00001 0.00005 4*0.0 0.00006 0.0 0.00046 0.0 -0.00004 -0.00011 -0.00003
|
||||
3*0.0 -0.00002 0.0 -0.00013 0.0 0.00001 0.00004 4*0.0 0.00006 0.0 0.00044 0.0 -0.00004 -0.00008 -0.00004
|
||||
3*0.0 -0.00002 0.0 -0.00012 0.0 0.00001 0.00002 4*0.0 0.00006 0.0 0.00041 0.0 -0.00003 -0.00006 -0.00005
|
||||
3*0.0 -0.00002 0.0 -0.00012 0.0 0.00001 0.00001 0.00001 3*0.0 0.00005 0.0 0.00039 0.00001 -0.00003 -0.00003 -0.00006
|
||||
3*0.0 -0.00002 0.0 -0.00012 0.0 0.00001 0.0 0.00001 3*0.0 0.00005 0.0 0.00036 0.00001 -0.00003 0.0 -0.00006
|
||||
3*0.0 -0.00002 0.0 -0.00012 0.0 0.00001 -0.00001 0.00001 3*0.0 0.00005 0.0 0.00034 0.00001 -0.00002 0.00002 -0.00007
|
||||
3*0.0 -0.00001 0.0 -0.00011 0.0 0.00001 -0.00002 0.00001 3*0.0 0.00004 0.0 0.00031 0.00001 -0.00002 0.00004 -0.00007
|
||||
3*0.0 -0.00001 0.0 -0.00011 0.0 0.00001 -0.00002 0.00002 3*0.0 0.00004 0.0 0.00029 0.00002 -0.00002 0.00007 -0.00008
|
||||
3*0.0 -0.00001 0.0 -0.00010 2*0.0 -0.00003 0.00002 3*0.0 0.00004 0.0 0.00027 0.00002 -0.00001 0.00009 -0.00008
|
||||
3*0.0 -0.00001 0.0 -0.00010 2*0.0 -0.00004 0.00002 3*0.0 0.00003 0.0 0.00024 0.00002 -0.00001 0.00011 -0.00009
|
||||
3*0.0 -0.00001 0.0 -0.00009 2*0.0 -0.00005 0.00002 3*0.0 0.00003 0.0 0.00022 0.00002 -0.00001 0.00012 -0.00009
|
||||
3*0.0 -0.00001 0.0 -0.00009 2*0.0 -0.00006 0.00002 3*0.0 0.00003 0.0 0.00020 0.00002 -0.00001 0.00014 -0.00009
|
||||
3*0.0 -0.00001 0.0 -0.00008 2*0.0 -0.00006 0.00002 3*0.0 0.00002 0.0 0.00018 0.00002 0.0 0.00015 -0.00009
|
||||
3*0.0 -0.00001 0.0 -0.00008 2*0.0 -0.00007 0.00003 3*0.0 0.00002 0.0 0.00016 0.00002 0.0 0.00017 -0.00010
|
||||
3*0.0 -0.00001 0.0 -0.00007 -0.00001 0.0 -0.00008 0.00003 3*0.0 0.00002 0.0 0.00014 0.00002 0.0 0.00018 -0.00010
|
||||
3*0.0 -0.00001 0.0 -0.00007 -0.00001 0.0 -0.00008 0.00003 3*0.0 0.00002 0.0 0.00012 0.00002 0.0 0.00019 -0.00010
|
||||
3*0.0 -0.00001 0.0 -0.00006 -0.00001 0.0 -0.00009 0.00003 3*0.0 0.00001 0.0 0.00010 0.00003 0.0 0.00020 -0.00010
|
||||
3*0.0 -0.00001 0.0 -0.00005 -0.00001 0.0 -0.00009 0.00003 3*0.0 0.00001 0.0 0.00008 0.00003 0.0 0.00021 -0.00010
|
||||
3*0.0 -0.00001 0.0 -0.00005 -0.00001 0.0 -0.00009 0.00003 3*0.0 0.00001 0.0 0.00007 0.00003 0.00001 0.00022 -0.00010
|
||||
3*0.0 -0.00001 0.0 -0.00004 -0.00001 0.0 -0.00010 0.00003 3*0.0 0.00001 0.0 0.00005 0.00003 0.00001 0.00022 -0.00010
|
||||
3*0.0 -0.00001 0.0 -0.00004 -0.00001 0.0 -0.00010 0.00003 3*0.0 0.00001 0.0 0.00004 0.00003 0.00001 0.00023 -0.00010
|
||||
5*0.0 -0.00003 -0.00001 0.0 -0.00010 0.00003 3*0.0 0.00001 0.0 0.00003 0.00003 0.00001 0.00023 -0.00010
|
||||
5*0.0 -0.00003 -0.00001 0.0 -0.00011 0.00003 5*0.0 0.00001 0.00003 0.00001 0.00024 -0.00010
|
||||
5*0.0 -0.00003 -0.00001 0.0 -0.00011 0.00003 6*0.0 0.00003 0.00001 0.00024 -0.00010
|
||||
5*0.0 -0.00002 -0.00001 0.0 -0.00011 0.00003 5*0.0 -0.00001 0.00003 0.00001 0.00024 -0.00009
|
||||
5*0.0 -0.00002 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00002 0.00003 0.00001 0.00024 -0.00009
|
||||
5*0.0 -0.00001 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00003 0.00003 0.00001 0.00024 -0.00009
|
||||
5*0.0 -0.00001 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00004 0.00003 0.00001 0.00024 -0.00009
|
||||
5*0.0 -0.00001 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00004 0.00003 0.00001 0.00024 -0.00009
|
||||
6*0.0 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00005 0.00002 0.00001 0.00024 -0.00009
|
||||
6*0.0 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00006 0.00002 0.00001 0.00024 -0.00008
|
||||
6*0.0 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00006 0.00002 0.00001 0.00024 -0.00008
|
||||
5*0.0 0.00001 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00007 0.00002 0.00001 0.00024 -0.00008
|
||||
5*0.0 0.00001 -0.00001 -0.00001 -0.00011 0.00003 5*0.0 -0.00007 0.00002 0.00001 0.00023 -0.00008
|
||||
5*0.0 0.00001 -0.00001 -0.00001 -0.00011 0.00003 3*0.0 -0.00001 0.0 -0.00007 0.00002 0.00001 0.00023 -0.00007
|
||||
5*0.0 0.00001 -0.00001 -0.00001 -0.00011 0.00003 3*0.0 -0.00001 0.0 -0.00008 0.00002 0.00001 0.00023 -0.00007
|
||||
5*0.0 0.00001 -0.00001 -0.00001 -0.00011 0.00003 3*0.0 -0.00001 0.0 -0.00008 0.00002 0.00001 0.00022 -0.00007
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00011 0.00003 3*0.0 -0.00001 0.0 -0.00008 0.00002 0.00001 0.00022 -0.00007
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00011 0.00003 3*0.0 -0.00001 0.0 -0.00008 0.00002 0.00001 0.00021 -0.00006
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00010 0.00003 3*0.0 -0.00001 0.0 -0.00009 0.00002 0.00001 0.00021 -0.00006
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00010 0.00003 3*0.0 -0.00001 0.0 -0.00009 0.00002 0.00001 0.00021 -0.00006
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00010 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00002 0.00001 0.00020 -0.00006
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00010 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00002 0.00001 0.00020 -0.00005
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00010 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00002 0.00001 0.00019 -0.00005
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00009 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00002 0.00001 0.00019 -0.00005
|
||||
5*0.0 0.00002 -0.00001 -0.00001 -0.00009 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00002 0.00001 0.00018 -0.00005
|
||||
5*0.0 0.00003 -0.00001 -0.00001 -0.00009 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00001 0.00001 0.00018 -0.00004
|
||||
5*0.0 0.00003 -0.00001 -0.00001 -0.00009 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00001 0.00001 0.00017 -0.00004
|
||||
5*0.0 0.00003 -0.00001 -0.00001 -0.00009 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00001 0.00001 0.00017 -0.00004
|
||||
5*0.0 0.00003 -0.00001 -0.00001 -0.00008 0.00002 3*0.0 -0.00001 0.0 -0.00009 0.00001 0.00001 0.00016 -0.00004
|
||||
5*0.0 0.00003 -0.00001 -0.00001 -0.00008 0.00002 3*0.0 -0.00001 0.0 -0.00008 0.00001 0.00001 0.00016 -0.00004
|
||||
5*0.0 0.00003 2*0.0 -0.00008 0.00002 3*0.0 -0.00001 0.0 -0.00008 0.00001 0.00001 0.00015 -0.00003
|
||||
5*0.0 0.00003 2*0.0 -0.00008 0.00002 3*0.0 -0.00001 0.0 -0.00008 0.00001 0.00001 0.00015 -0.00003
|
||||
5*0.0 0.00003 2*0.0 -0.00007 0.00002 3*0.0 -0.00001 0.0 -0.00008 0.00001 0.00001 0.00014 -0.00003
|
||||
5*0.0 0.00003 2*0.0 -0.00007 0.00002 3*0.0 -0.00001 0.0 -0.00008 0.00001 0.00001 0.00014 -0.00003
|
||||
5*0.0 0.00003 2*0.0 -0.00007 0.00001 3*0.0 -0.00001 0.0 -0.00008 0.00001 0.00001 0.00013 -0.00003
|
||||
5*0.0 0.00003 2*0.0 -0.00007 0.00001 3*0.0 -0.00001 0.0 -0.00008 0.00001 0.00001 0.00013 -0.00002
|
||||
5*0.0 0.00003 2*0.0 -0.00007 0.00001 3*0.0 -0.00001 0.0 -0.00007 0.00001 0.00001 0.00012 -0.00002
|
||||
5*0.0 0.00002 2*0.0 -0.00006 0.00001 3*0.0 -0.00001 0.0 -0.00007 0.00001 0.00001 0.00012 -0.00002
|
||||
5*0.0 0.00002 2*0.0 -0.00006 0.00001 3*0.0 -0.00001 0.0 -0.00007 0.00001 0.00001 0.00011 -0.00002
|
||||
5*0.0 0.00002 2*0.0 -0.00006 0.00001 3*0.0 -0.00001 0.0 -0.00007 0.00001 0.00001 0.00011 -0.00002
|
||||
5*0.0 0.00002 2*0.0 -0.00006 0.00001 3*0.0 -0.00001 0.0 -0.00007 0.00001 0.00001 0.00010 -0.00002
|
||||
5*0.0 0.00002 2*0.0 -0.00006 0.00001 5*0.0 -0.00006 0.00001 0.00001 0.00010 -0.00001
|
||||
5*0.0 0.00002 2*0.0 -0.00005 0.00001 5*0.0 -0.00006 0.00001 0.00001 0.00010 -0.00001
|
||||
5*0.0 0.00002 2*0.0 -0.00005 0.00001 5*0.0 -0.00006 0.00001 0.00001 0.00009 -0.00001
|
||||
142
tests/DFTB/nonscc/ss
Normal file
142
tests/DFTB/nonscc/ss
Normal file
|
|
@ -0,0 +1,142 @@
|
|||
0.1, 140,
|
||||
0.0, -0.2565, -0.6294, 0.0 3*0.0 0.0 4.0 2.0 T F
|
||||
32.064, 0.3537040485 -0.3233001583 0.1826066293 5*0.0, 4.0, 4.0, 0.0, 4.0, 2.0, 6*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -0.31408 -1.39733 0.0 -0.52608 -1.74200 5*0.0 0.84988 0.94162 0.0 0.16757 0.92557
|
||||
5*0.0 -0.20578 -1.16681 0.0 -0.58775 -1.60237 5*0.0 0.79821 0.91809 0.0 0.20129 0.89622
|
||||
5*0.0 -0.22879 -1.00739 0.0 -0.54110 -1.42979 5*0.0 0.74719 0.89386 0.0 0.22927 0.86410
|
||||
5*0.0 -0.30080 -0.90109 0.0 -0.45253 -1.25204 5*0.0 0.69577 0.86925 0.0 0.25302 0.83072
|
||||
5*0.0 -0.37152 -0.83065 0.0 -0.36575 -1.09409 5*0.0 0.64246 0.84426 0.0 0.27431 0.79763
|
||||
5*0.0 -0.41651 -0.78243 0.0 -0.30240 -0.96840 5*0.0 0.58609 0.81873 0.0 0.29458 0.76602
|
||||
5*0.0 -0.42808 -0.74670 0.0 -0.26894 -0.87690 5*0.0 0.52611 0.79250 0.0 0.31474 0.73657
|
||||
5*0.0 -0.40787 -0.71704 0.0 -0.26329 -0.81535 5*0.0 0.46256 0.76542 0.0 0.33517 0.70952
|
||||
5*0.0 -0.36185 -0.68951 0.0 -0.27944 -0.77690 5*0.0 0.39597 0.73743 0.0 0.35582 0.68473
|
||||
5*0.0 -0.29741 -0.66192 0.0 -0.31034 -0.75433 5*0.0 0.32720 0.70853 0.0 0.37635 0.66183
|
||||
5*0.0 -0.22176 -0.63323 0.0 -0.34937 -0.74128 5*0.0 0.25732 0.67880 0.0 0.39625 0.64036
|
||||
5*0.0 -0.14113 -0.60312 0.0 -0.39105 -0.73268 5*0.0 0.18744 0.64837 0.0 0.41496 0.61982
|
||||
5*0.0 -0.06051 -0.57172 0.0 -0.43125 -0.72486 5*0.0 0.11867 0.61740 0.0 0.43195 0.59975
|
||||
5*0.0 0.01641 -0.53936 0.0 -0.46711 -0.71541 5*0.0 0.05204 0.58609 0.0 0.44672 0.57978
|
||||
5*0.0 0.08713 -0.50648 0.0 -0.49688 -0.70294 5*0.0 -0.01153 0.55464 0.0 0.45891 0.55960
|
||||
5*0.0 0.15010 -0.47355 0.0 -0.51967 -0.68682 5*0.0 -0.07127 0.52325 0.0 0.46823 0.53903
|
||||
5*0.0 0.20454 -0.44097 0.0 -0.53527 -0.66699 5*0.0 -0.12655 0.49212 0.0 0.47451 0.51795
|
||||
5*0.0 0.25027 -0.40911 0.0 -0.54390 -0.64371 5*0.0 -0.17689 0.46144 0.0 0.47768 0.49632
|
||||
5*0.0 0.28751 -0.37826 0.0 -0.54608 -0.61748 5*0.0 -0.22194 0.43138 0.0 0.47777 0.47419
|
||||
5*0.0 0.31676 -0.34865 0.0 -0.54252 -0.58891 5*0.0 -0.26153 0.40210 0.0 0.47487 0.45162
|
||||
5*0.0 0.33866 -0.32044 0.0 -0.53399 -0.55861 5*0.0 -0.29558 0.37372 0.0 0.46914 0.42873
|
||||
5*0.0 0.35398 -0.29375 0.0 -0.52128 -0.52717 5*0.0 -0.32413 0.34636 0.0 0.46081 0.40566
|
||||
5*0.0 0.36350 -0.26864 0.0 -0.50517 -0.49516 5*0.0 -0.34732 0.32011 0.0 0.45013 0.38254
|
||||
5*0.0 0.36797 -0.24513 0.0 -0.48637 -0.46306 5*0.0 -0.36538 0.29504 0.0 0.43736 0.35952
|
||||
5*0.0 0.36815 -0.22322 0.0 -0.46553 -0.43127 5*0.0 -0.37858 0.27120 0.0 0.42279 0.33677
|
||||
5*0.0 0.36470 -0.20287 0.0 -0.44323 -0.40014 5*0.0 -0.38726 0.24863 0.0 0.40673 0.31441
|
||||
5*0.0 0.35826 -0.18405 0.0 -0.41997 -0.36994 5*0.0 -0.39178 0.22735 0.0 0.38946 0.29257
|
||||
5*0.0 0.34939 -0.16670 0.0 -0.39618 -0.34088 5*0.0 -0.39253 0.20736 0.0 0.37125 0.27136
|
||||
5*0.0 0.33858 -0.15073 0.0 -0.37223 -0.31312 5*0.0 -0.38993 0.18864 0.0 0.35238 0.25088
|
||||
5*0.0 0.32628 -0.13609 0.0 -0.34843 -0.28677 5*0.0 -0.38435 0.17119 0.0 0.33309 0.23122
|
||||
5*0.0 0.31285 -0.12269 0.0 -0.32501 -0.26190 5*0.0 -0.37622 0.15496 0.0 0.31359 0.21243
|
||||
5*0.0 0.29864 -0.11044 0.0 -0.30218 -0.23855 5*0.0 -0.36591 0.13993 0.0 0.29411 0.19456
|
||||
5*0.0 0.28391 -0.09928 0.0 -0.28010 -0.21672 5*0.0 -0.35378 0.12604 0.0 0.27480 0.17765
|
||||
5*0.0 0.26891 -0.08913 0.0 -0.25888 -0.19640 5*0.0 -0.34018 0.11325 0.0 0.25583 0.16172
|
||||
5*0.0 0.25384 -0.07991 0.0 -0.23862 -0.17757 5*0.0 -0.32543 0.10151 0.0 0.23733 0.14677
|
||||
5*0.0 0.23885 -0.07154 0.0 -0.21936 -0.16016 5*0.0 -0.30983 0.09076 0.0 0.21941 0.13280
|
||||
5*0.0 0.22409 -0.06397 0.0 -0.20116 -0.14414 5*0.0 -0.29363 0.08095 0.0 0.20215 0.11980
|
||||
5*0.0 0.20966 -0.05712 0.0 -0.18402 -0.12944 5*0.0 -0.27708 0.07202 0.0 0.18564 0.10774
|
||||
5*0.0 0.19565 -0.05093 0.0 -0.16795 -0.11598 5*0.0 -0.26039 0.06390 0.0 0.16992 0.09661
|
||||
5*0.0 0.18213 -0.04536 0.0 -0.15294 -0.10370 5*0.0 -0.24373 0.05655 0.0 0.15502 0.08636
|
||||
5*0.0 0.16914 -0.04033 0.0 -0.13896 -0.09253 5*0.0 -0.22728 0.04992 0.0 0.14098 0.07695
|
||||
5*0.0 0.15672 -0.03582 0.0 -0.12598 -0.08238 5*0.0 -0.21115 0.04394 0.0 0.12779 0.06836
|
||||
5*0.0 0.14490 -0.03176 0.0 -0.11397 -0.07319 5*0.0 -0.19547 0.03856 0.0 0.11547 0.06052
|
||||
5*0.0 0.13368 -0.02812 0.0 -0.10289 -0.06489 5*0.0 -0.18032 0.03375 0.0 0.10400 0.05341
|
||||
5*0.0 0.12308 -0.02487 0.0 -0.09269 -0.05740 5*0.0 -0.16578 0.02944 0.0 0.09336 0.04697
|
||||
5*0.0 0.11309 -0.02195 0.0 -0.08333 -0.05067 5*0.0 -0.15190 0.02560 0.0 0.08354 0.04115
|
||||
5*0.0 0.10371 -0.01934 0.0 -0.07475 -0.04463 5*0.0 -0.13872 0.02218 0.0 0.07449 0.03592
|
||||
5*0.0 0.09492 -0.01702 0.0 -0.06691 -0.03921 5*0.0 -0.12626 0.01915 0.0 0.06619 0.03123
|
||||
5*0.0 0.08671 -0.01494 0.0 -0.05977 -0.03438 5*0.0 -0.11454 0.01647 0.0 0.05861 0.02704
|
||||
5*0.0 0.07905 -0.01310 0.0 -0.05327 -0.03006 5*0.0 -0.10356 0.01410 0.0 0.05170 0.02330
|
||||
5*0.0 0.07193 -0.01146 0.0 -0.04737 -0.02622 5*0.0 -0.09332 0.01202 0.0 0.04543 0.01999
|
||||
5*0.0 0.06533 -0.01000 0.0 -0.04203 -0.02281 5*0.0 -0.08381 0.01019 0.0 0.03975 0.01705
|
||||
5*0.0 0.05921 -0.00871 0.0 -0.03720 -0.01978 5*0.0 -0.07501 0.00859 0.0 0.03463 0.01446
|
||||
5*0.0 0.05357 -0.00757 0.0 -0.03284 -0.01710 5*0.0 -0.06690 0.00720 0.0 0.03003 0.01218
|
||||
5*0.0 0.04836 -0.00656 0.0 -0.02892 -0.01474 5*0.0 -0.05944 0.00598 0.0 0.02591 0.01018
|
||||
5*0.0 0.04357 -0.00567 0.0 -0.02540 -0.01266 5*0.0 -0.05261 0.00493 0.0 0.02223 0.00844
|
||||
5*0.0 0.03917 -0.00489 0.0 -0.02224 -0.01083 5*0.0 -0.04639 0.00403 0.0 0.01895 0.00692
|
||||
5*0.0 0.03514 -0.00420 0.0 -0.01941 -0.00923 5*0.0 -0.04072 0.00325 0.0 0.01605 0.00561
|
||||
5*0.0 0.03146 -0.00360 0.0 -0.01689 -0.00783 5*0.0 -0.03559 0.00258 0.0 0.01349 0.00448
|
||||
5*0.0 0.02809 -0.00307 0.0 -0.01465 -0.00661 5*0.0 -0.03096 0.00201 0.0 0.01123 0.00351
|
||||
5*0.0 0.02503 -0.00261 0.0 -0.01265 -0.00554 5*0.0 -0.02679 0.00153 0.0 0.00925 0.00268
|
||||
5*0.0 0.02224 -0.00220 0.0 -0.01088 -0.00462 5*0.0 -0.02305 0.00112 0.0 0.00752 0.00198
|
||||
5*0.0 0.01972 -0.00185 0.0 -0.00932 -0.00382 5*0.0 -0.01970 0.00078 0.0 0.00602 0.00139
|
||||
5*0.0 0.01743 -0.00155 0.0 -0.00794 -0.00313 5*0.0 -0.01672 0.00050 0.0 0.00473 0.00090
|
||||
5*0.0 0.01536 -0.00128 0.0 -0.00672 -0.00254 5*0.0 -0.01408 0.00027 0.0 0.00361 0.00048
|
||||
5*0.0 0.01350 -0.00106 0.0 -0.00566 -0.00203 5*0.0 -0.01175 0.00008 0.0 0.00266 0.00015
|
||||
5*0.0 0.01182 -0.00086 0.0 -0.00472 -0.00160 5*0.0 -0.00969 -0.00008 0.0 0.00184 -0.00013
|
||||
5*0.0 0.01031 -0.00069 0.0 -0.00391 -0.00124 5*0.0 -0.00789 -0.00020 0.0 0.00116 -0.00035
|
||||
5*0.0 0.00896 -0.00055 0.0 -0.00320 -0.00093 5*0.0 -0.00632 -0.00030 0.0 0.00059 -0.00052
|
||||
5*0.0 0.00776 -0.00043 0.0 -0.00259 -0.00067 5*0.0 -0.00495 -0.00037 0.0 0.00011 -0.00065
|
||||
5*0.0 0.00668 -0.00032 0.0 -0.00206 -0.00045 5*0.0 -0.00377 -0.00042 0.0 -0.00028 -0.00075
|
||||
5*0.0 0.00573 -0.00024 0.0 -0.00161 -0.00027 5*0.0 -0.00276 -0.00046 0.0 -0.00060 -0.00082
|
||||
5*0.0 0.00488 -0.00016 0.0 -0.00122 -0.00012 5*0.0 -0.00189 -0.00048 0.0 -0.00085 -0.00087
|
||||
5*0.0 0.00413 -0.00010 0.0 -0.00089 6*0.0 -0.00116 -0.00050 0.0 -0.00104 -0.00090
|
||||
5*0.0 0.00347 -0.00005 0.0 -0.00061 0.00010 5*0.0 -0.00054 -0.00050 0.0 -0.00119 -0.00091
|
||||
5*0.0 0.00289 -0.00001 0.0 -0.00038 0.00017 5*0.0 -0.00003 -0.00050 0.0 -0.00130 -0.00091
|
||||
5*0.0 0.00238 0.00002 0.0 -0.00018 0.00023 5*0.0 0.00040 -0.00049 0.0 -0.00137 -0.00089
|
||||
5*0.0 0.00194 0.00005 0.0 -0.00002 0.00028 5*0.0 0.00074 -0.00048 0.0 -0.00141 -0.00087
|
||||
5*0.0 0.00155 0.00007 0.0 0.00011 0.00031 5*0.0 0.00102 -0.00046 0.0 -0.00143 -0.00084
|
||||
5*0.0 0.00121 0.00008 0.0 0.00022 0.00033 5*0.0 0.00123 -0.00044 0.0 -0.00143 -0.00081
|
||||
5*0.0 0.00093 0.00009 0.0 0.00030 0.00035 5*0.0 0.00140 -0.00042 0.0 -0.00142 -0.00077
|
||||
5*0.0 0.00068 0.00010 0.0 0.00037 0.00035 5*0.0 0.00151 -0.00040 0.0 -0.00139 -0.00073
|
||||
5*0.0 0.00047 0.00011 0.0 0.00042 0.00035 5*0.0 0.00160 -0.00038 0.0 -0.00135 -0.00069
|
||||
5*0.0 0.00029 0.00011 0.0 0.00045 0.00035 5*0.0 0.00165 -0.00035 0.0 -0.00130 -0.00065
|
||||
5*0.0 0.00014 0.00011 0.0 0.00048 0.00034 5*0.0 0.00167 -0.00033 0.0 -0.00125 -0.00061
|
||||
5*0.0 0.00001 0.00011 0.0 0.00049 0.00033 5*0.0 0.00167 -0.00031 0.0 -0.00119 -0.00057
|
||||
5*0.0 -0.00009 0.00011 0.0 0.00050 0.00032 5*0.0 0.00165 -0.00029 0.0 -0.00113 -0.00053
|
||||
5*0.0 -0.00017 0.00011 0.0 0.00050 0.00031 5*0.0 0.00162 -0.00026 0.0 -0.00107 -0.00049
|
||||
5*0.0 -0.00024 0.00010 0.0 0.00049 0.00029 5*0.0 0.00158 -0.00024 0.0 -0.00101 -0.00046
|
||||
5*0.0 -0.00029 0.00010 0.0 0.00048 0.00028 5*0.0 0.00152 -0.00023 0.0 -0.00094 -0.00042
|
||||
5*0.0 -0.00034 0.00010 0.0 0.00047 0.00026 5*0.0 0.00146 -0.00021 0.0 -0.00088 -0.00039
|
||||
5*0.0 -0.00037 0.00009 0.0 0.00045 0.00025 5*0.0 0.00140 -0.00019 0.0 -0.00082 -0.00036
|
||||
5*0.0 -0.00039 0.00009 0.0 0.00043 0.00023 5*0.0 0.00133 -0.00017 0.0 -0.00077 -0.00033
|
||||
5*0.0 -0.00040 0.00008 0.0 0.00042 0.00022 5*0.0 0.00126 -0.00016 0.0 -0.00071 -0.00030
|
||||
5*0.0 -0.00041 0.00008 0.0 0.00040 0.00020 5*0.0 0.00119 -0.00014 0.0 -0.00066 -0.00027
|
||||
5*0.0 -0.00041 0.00007 0.0 0.00037 0.00019 5*0.0 0.00112 -0.00013 0.0 -0.00061 -0.00025
|
||||
5*0.0 -0.00041 0.00007 0.0 0.00035 0.00017 5*0.0 0.00105 -0.00012 0.0 -0.00056 -0.00023
|
||||
5*0.0 -0.00040 0.00006 0.0 0.00033 0.00016 5*0.0 0.00098 -0.00011 0.0 -0.00051 -0.00021
|
||||
5*0.0 -0.00039 0.00006 0.0 0.00031 0.00015 5*0.0 0.00091 -0.00010 0.0 -0.00047 -0.00019
|
||||
5*0.0 -0.00038 0.00005 0.0 0.00029 0.00014 5*0.0 0.00085 -0.00009 0.0 -0.00043 -0.00017
|
||||
5*0.0 -0.00036 0.00005 0.0 0.00027 0.00012 5*0.0 0.00078 -0.00008 0.0 -0.00039 -0.00015
|
||||
5*0.0 -0.00035 0.00005 0.0 0.00025 0.00011 5*0.0 0.00073 -0.00007 0.0 -0.00036 -0.00014
|
||||
5*0.0 -0.00033 0.00004 0.0 0.00023 0.00010 5*0.0 0.00067 -0.00006 0.0 -0.00033 -0.00012
|
||||
5*0.0 -0.00032 0.00004 0.0 0.00022 0.00010 5*0.0 0.00062 -0.00006 0.0 -0.00030 -0.00011
|
||||
5*0.0 -0.00030 0.00003 0.0 0.00020 0.00009 5*0.0 0.00057 -0.00005 0.0 -0.00027 -0.00010
|
||||
5*0.0 -0.00028 0.00003 0.0 0.00019 0.00008 5*0.0 0.00052 -0.00005 0.0 -0.00025 -0.00009
|
||||
5*0.0 -0.00027 0.00003 0.0 0.00017 0.00007 5*0.0 0.00047 -0.00004 0.0 -0.00022 -0.00008
|
||||
5*0.0 -0.00025 0.00003 0.0 0.00016 0.00007 5*0.0 0.00043 -0.00004 0.0 -0.00020 -0.00007
|
||||
5*0.0 -0.00023 0.00002 0.0 0.00014 0.00006 5*0.0 0.00039 -0.00003 0.0 -0.00018 -0.00006
|
||||
5*0.0 -0.00022 0.00002 0.0 0.00013 0.00005 5*0.0 0.00036 -0.00003 0.0 -0.00016 -0.00006
|
||||
5*0.0 -0.00020 0.00002 0.0 0.00012 0.00005 5*0.0 0.00033 -0.00003 0.0 -0.00015 -0.00005
|
||||
5*0.0 -0.00019 0.00002 0.0 0.00011 0.00004 5*0.0 0.00030 -0.00002 0.0 -0.00013 -0.00005
|
||||
5*0.0 -0.00017 0.00002 0.0 0.00010 0.00004 5*0.0 0.00027 -0.00002 0.0 -0.00012 -0.00004
|
||||
5*0.0 -0.00016 0.00001 0.0 0.00009 0.00004 5*0.0 0.00024 -0.00002 0.0 -0.00011 -0.00004
|
||||
5*0.0 -0.00015 0.00001 0.0 0.00008 0.00003 5*0.0 0.00022 -0.00002 0.0 -0.00010 -0.00003
|
||||
5*0.0 -0.00014 0.00001 0.0 0.00008 0.00003 5*0.0 0.00020 -0.00001 0.0 -0.00009 -0.00003
|
||||
5*0.0 -0.00013 0.00001 0.0 0.00007 0.00003 5*0.0 0.00018 -0.00001 0.0 -0.00008 -0.00002
|
||||
5*0.0 -0.00012 0.00001 0.0 0.00006 0.00002 5*0.0 0.00016 -0.00001 0.0 -0.00007 -0.00002
|
||||
5*0.0 -0.00011 0.00001 0.0 0.00006 0.00002 5*0.0 0.00014 -0.00001 0.0 -0.00006 -0.00002
|
||||
5*0.0 -0.00010 0.00001 0.0 0.00005 0.00002 5*0.0 0.00013 -0.00001 0.0 -0.00005 -0.00002
|
||||
5*0.0 -0.00009 0.00001 0.0 0.00005 0.00002 5*0.0 0.00011 -0.00001 0.0 -0.00005 -0.00002
|
||||
5*0.0 -0.00008 0.00001 0.0 0.00004 0.00002 5*0.0 0.00010 -0.00001 0.0 -0.00004 -0.00001
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00004 0.00001 5*0.0 0.00009 -0.00001 0.0 -0.00004 -0.00001
|
||||
5*0.0 -0.00007 0.00001 0.0 0.00003 0.00001 5*0.0 0.00008 2*0.0 -0.00003 -0.00001
|
||||
5*0.0 -0.00006 2*0.0 0.00003 0.00001 5*0.0 0.00007 2*0.0 -0.00003 -0.00001
|
||||
5*0.0 -0.00006 2*0.0 0.00003 0.00001 5*0.0 0.00006 2*0.0 -0.00003 -0.00001
|
||||
5*0.0 -0.00005 2*0.0 0.00002 0.00001 5*0.0 0.00006 2*0.0 -0.00002 -0.00001
|
||||
5*0.0 -0.00005 2*0.0 0.00002 0.00001 5*0.0 0.00005 2*0.0 -0.00002 -0.00001
|
||||
5*0.0 -0.00004 2*0.0 0.00002 0.00001 5*0.0 0.00004 2*0.0 -0.00002 -0.00001
|
||||
5*0.0 -0.00004 2*0.0 0.00002 0.00001 5*0.0 0.00004 2*0.0 -0.00002 0.0
|
||||
5*0.0 -0.00003 2*0.0 0.00002 0.00001 5*0.0 0.00003 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00003 2*0.0 0.00001 6*0.0 0.00003 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00003 2*0.0 0.00001 6*0.0 0.00003 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00002 2*0.0 0.00001 6*0.0 0.00002 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00002 2*0.0 0.00001 6*0.0 0.00002 2*0.0 -0.00001 0.0
|
||||
5*0.0 -0.00002 2*0.0 0.00001 6*0.0 0.00002 2*0.0 -0.00001 0.0
|
||||
17
tests/DFTB/regtest-nonscc/TEST_FILES
Normal file
17
tests/DFTB/regtest-nonscc/TEST_FILES
Normal file
|
|
@ -0,0 +1,17 @@
|
|||
# runs are executed in the same order as in this file
|
||||
# the second field tells which test should be run in order to compare with the last available output
|
||||
# see regtest/TEST_FILES
|
||||
ch2o-1.inp 1
|
||||
ch2o-2.inp 1
|
||||
ch2o-3.inp 1
|
||||
h2-1.inp 1
|
||||
h2-2.inp 1
|
||||
h2-3.inp 1
|
||||
h2-4.inp 1
|
||||
h2o-32_1.inp 1
|
||||
h2o-32_2.inp 1
|
||||
h2o-32_3.inp 1
|
||||
h2o-32_4.inp 1
|
||||
MoS.inp 1
|
||||
n2.inp 1
|
||||
s2.inp 1
|
||||
17
tests/DFTB/regtest-nonscc/TEST_FILES_RESET
Normal file
17
tests/DFTB/regtest-nonscc/TEST_FILES_RESET
Normal file
|
|
@ -0,0 +1,17 @@
|
|||
#
|
||||
# add files to be reset here
|
||||
#
|
||||
ch2o-1.inp
|
||||
ch2o-2.inp
|
||||
ch2o-3.inp
|
||||
h2-1.inp
|
||||
h2-2.inp
|
||||
h2-3.inp
|
||||
h2-4.inp
|
||||
h2o-32_1.inp
|
||||
h2o-32_2.inp
|
||||
h2o-32_3.inp
|
||||
h2o-32_4.inp
|
||||
MoS.inp
|
||||
n2.inp
|
||||
s2.inp
|
||||
40
tests/DFTB/regtest-nonscc/ch2o-1.inp
Normal file
40
tests/DFTB/regtest-nonscc/ch2o-1.inp
Normal file
|
|
@ -0,0 +1,40 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
DISPERSION F
|
||||
ORTHOGONAL_BASIS F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O-1
|
||||
RUN_TYPE ENERGY
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
40
tests/DFTB/regtest-nonscc/ch2o-2.inp
Normal file
40
tests/DFTB/regtest-nonscc/ch2o-2.inp
Normal file
|
|
@ -0,0 +1,40 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
DISPERSION F
|
||||
ORTHOGONAL_BASIS F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O-2
|
||||
RUN_TYPE GEO_OPT
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
40
tests/DFTB/regtest-nonscc/ch2o-3.inp
Normal file
40
tests/DFTB/regtest-nonscc/ch2o-3.inp
Normal file
|
|
@ -0,0 +1,40 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
DISPERSION T
|
||||
ORTHOGONAL_BASIS F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O-1
|
||||
RUN_TYPE GEO_OPT
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
34
tests/DFTB/regtest-nonscc/h2-1.inp
Normal file
34
tests/DFTB/regtest-nonscc/h2-1.inp
Normal file
|
|
@ -0,0 +1,34 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
SK_FILE H H hh
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
H 0.000000 0.000000 0.000000
|
||||
H 0.000000 0.700000 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2-1
|
||||
RUN_TYPE ENERGY
|
||||
PRINT_LEVEL HIGH
|
||||
&END GLOBAL
|
||||
34
tests/DFTB/regtest-nonscc/h2-2.inp
Normal file
34
tests/DFTB/regtest-nonscc/h2-2.inp
Normal file
|
|
@ -0,0 +1,34 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
H 0.000000 0.000000 0.000000
|
||||
H 0.000000 0.700000 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2-2
|
||||
RUN_TYPE ENERGY
|
||||
PRINT_LEVEL HIGH
|
||||
&END GLOBAL
|
||||
34
tests/DFTB/regtest-nonscc/h2-3.inp
Normal file
34
tests/DFTB/regtest-nonscc/h2-3.inp
Normal file
|
|
@ -0,0 +1,34 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
H 0.000000 0.000000 0.000000
|
||||
H 0.000000 0.700000 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2-3
|
||||
RUN_TYPE ENERGY_FORCE
|
||||
PRINT_LEVEL HIGH
|
||||
&END GLOBAL
|
||||
43
tests/DFTB/regtest-nonscc/h2-4.inp
Normal file
43
tests/DFTB/regtest-nonscc/h2-4.inp
Normal file
|
|
@ -0,0 +1,43 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
H 0.000000 0.000000 0.000000
|
||||
H 0.000000 0.700000 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2-4
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NVE
|
||||
STEPS 5
|
||||
TIMESTEP 0.5
|
||||
TEMPERATURE 330.0
|
||||
&END MD
|
||||
&END MOTION
|
||||
|
||||
141
tests/DFTB/regtest-nonscc/h2o-32_1.inp
Normal file
141
tests/DFTB/regtest-nonscc/h2o-32_1.inp
Normal file
|
|
@ -0,0 +1,141 @@
|
|||
&FORCE_EVAL
|
||||
METHOD Quickstep
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
MAX_SCF 2
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
FFTLIB FFTSG
|
||||
PROJECT H2O
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NVE
|
||||
STEPS 5
|
||||
TIMESTEP 0.48
|
||||
TEMPERATURE 330.0
|
||||
&END MD
|
||||
&END MOTION
|
||||
|
||||
147
tests/DFTB/regtest-nonscc/h2o-32_2.inp
Normal file
147
tests/DFTB/regtest-nonscc/h2o-32_2.inp
Normal file
|
|
@ -0,0 +1,147 @@
|
|||
&FORCE_EVAL
|
||||
METHOD Quickstep
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
MAX_SCF 2
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
FFTLIB FFTSG
|
||||
PROJECT H2O
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NVT
|
||||
STEPS 5
|
||||
TIMESTEP 0.48
|
||||
TEMPERATURE 330.0
|
||||
&NOSE
|
||||
LENGTH 3
|
||||
YOSHIDA 3
|
||||
TIMECON [wavenumber_t] 2000
|
||||
MTS 2
|
||||
&END NOSE
|
||||
&END MD
|
||||
&END MOTION
|
||||
|
||||
154
tests/DFTB/regtest-nonscc/h2o-32_3.inp
Normal file
154
tests/DFTB/regtest-nonscc/h2o-32_3.inp
Normal file
|
|
@ -0,0 +1,154 @@
|
|||
&FORCE_EVAL
|
||||
METHOD Quickstep
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
MAX_SCF 2
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
FFTLIB FFTSG
|
||||
PROJECT H2O
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NPT_I
|
||||
STEPS 5
|
||||
TIMESTEP 0.48
|
||||
TEMPERATURE 330.0
|
||||
PV_AVA T
|
||||
PV_NUM F
|
||||
PV_DIA F
|
||||
&NOSE
|
||||
LENGTH 3
|
||||
YOSHIDA 3
|
||||
TIMECON [wavenumber_t] 2000
|
||||
MTS 2
|
||||
&END NOSE
|
||||
&BAROSTAT
|
||||
PRESSURE 1.0
|
||||
TIMECON 300
|
||||
&END BAROSTAT
|
||||
&END MD
|
||||
&END MOTION
|
||||
|
||||
154
tests/DFTB/regtest-nonscc/h2o-32_4.inp
Normal file
154
tests/DFTB/regtest-nonscc/h2o-32_4.inp
Normal file
|
|
@ -0,0 +1,154 @@
|
|||
&FORCE_EVAL
|
||||
METHOD Quickstep
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
PARAM_FILE_NAME nonscc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
MAX_SCF 2
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
FFTLIB FFTSG
|
||||
PROJECT H2O
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NPT_I
|
||||
STEPS 2
|
||||
TIMESTEP 0.48
|
||||
TEMPERATURE 330.0
|
||||
PV_AVA T
|
||||
PV_NUM T
|
||||
PV_DIA T
|
||||
&NOSE
|
||||
LENGTH 3
|
||||
YOSHIDA 3
|
||||
TIMECON [wavenumber_t] 2000
|
||||
MTS 2
|
||||
&END NOSE
|
||||
&BAROSTAT
|
||||
PRESSURE 1.0
|
||||
TIMECON 300
|
||||
&END BAROSTAT
|
||||
&END MD
|
||||
&END MOTION
|
||||
|
||||
38
tests/DFTB/regtest-nonscc/n2.inp
Normal file
38
tests/DFTB/regtest-nonscc/n2.inp
Normal file
|
|
@ -0,0 +1,38 @@
|
|||
|
||||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
ORTHOGONAL_BASIS F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
SK_FILE N N nn
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS RANDOM
|
||||
&OT ON
|
||||
PRECONDITIONER NONE
|
||||
&END OT
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
N 0.000000 0.000000 0.000000
|
||||
N 1.100000 0.000000 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT N2
|
||||
RUN_TYPE GEO_OPT
|
||||
PRINT_LEVEL HIGH
|
||||
&END GLOBAL
|
||||
36
tests/DFTB/regtest-nonscc/s2.inp
Normal file
36
tests/DFTB/regtest-nonscc/s2.inp
Normal file
|
|
@ -0,0 +1,36 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT F
|
||||
ORTHOGONAL_BASIS F
|
||||
DO_EWALD F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../nonscc
|
||||
SK_FILE S S ss
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
S 0.000000 0.000000 0.000000
|
||||
S 1.200000 0.000000 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT S2
|
||||
RUN_TYPE GEO_OPT
|
||||
PRINT_LEVEL HIGH
|
||||
&END GLOBAL
|
||||
15
tests/DFTB/regtest-scc/TEST_FILES
Normal file
15
tests/DFTB/regtest-scc/TEST_FILES
Normal file
|
|
@ -0,0 +1,15 @@
|
|||
# runs are executed in the same order as in this file
|
||||
# the second field tells which test should be run in order to compare with the last available output
|
||||
# see regtest/TEST_FILES
|
||||
ch2o-1.inp 1
|
||||
ch2o-2.inp 1
|
||||
ch2o-3.inp 1
|
||||
ch2o-4.inp 1
|
||||
ch2o-5.inp 1
|
||||
ch2o.inp 1
|
||||
co.inp 1
|
||||
h2o-1.inp 1
|
||||
h2o-2.inp 1
|
||||
h2o-3.inp 1
|
||||
h2o-4.inp 1
|
||||
h2o.inp 1
|
||||
15
tests/DFTB/regtest-scc/TEST_FILES_RESET
Normal file
15
tests/DFTB/regtest-scc/TEST_FILES_RESET
Normal file
|
|
@ -0,0 +1,15 @@
|
|||
#
|
||||
# add files to be reset here
|
||||
#
|
||||
ch2o-1.inp
|
||||
ch2o-2.inp
|
||||
ch2o-3.inp
|
||||
ch2o-4.inp
|
||||
ch2o-5.inp
|
||||
ch2o.inp
|
||||
co.inp
|
||||
h2o-1.inp
|
||||
h2o-2.inp
|
||||
h2o-3.inp
|
||||
h2o-4.inp
|
||||
h2o.inp
|
||||
39
tests/DFTB/regtest-scc/ch2o-1.inp
Normal file
39
tests/DFTB/regtest-scc/ch2o-1.inp
Normal file
|
|
@ -0,0 +1,39 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DISPERSION F
|
||||
ORTHOGONAL_BASIS F
|
||||
DO_EWALD F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O
|
||||
RUN_TYPE GEO_OPT
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
47
tests/DFTB/regtest-scc/ch2o-2.inp
Normal file
47
tests/DFTB/regtest-scc/ch2o-2.inp
Normal file
|
|
@ -0,0 +1,47 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DISPERSION T
|
||||
ORTHOGONAL_BASIS F
|
||||
DO_EWALD T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&POISSON
|
||||
&EWALD
|
||||
EWALD_TYPE SPME
|
||||
&END EWALD
|
||||
POISSON_SOLVER ANALYTIC
|
||||
PERIODIC NONE
|
||||
&END POISSON
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O
|
||||
RUN_TYPE ENERGY
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
47
tests/DFTB/regtest-scc/ch2o-3.inp
Normal file
47
tests/DFTB/regtest-scc/ch2o-3.inp
Normal file
|
|
@ -0,0 +1,47 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DISPERSION T
|
||||
ORTHOGONAL_BASIS F
|
||||
DO_EWALD T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&POISSON
|
||||
&EWALD
|
||||
EWALD_TYPE SPME
|
||||
&END EWALD
|
||||
POISSON_SOLVER ANALYTIC
|
||||
PERIODIC NONE
|
||||
&END POISSON
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O
|
||||
RUN_TYPE GEO_OPT
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
43
tests/DFTB/regtest-scc/ch2o-4.inp
Normal file
43
tests/DFTB/regtest-scc/ch2o-4.inp
Normal file
|
|
@ -0,0 +1,43 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DISPERSION T
|
||||
ORTHOGONAL_BASIS F
|
||||
DO_EWALD F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS ATOMIC
|
||||
MAX_SCF 20
|
||||
&OT ON
|
||||
PRECONDITIONER NONE
|
||||
&END OT
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O
|
||||
RUN_TYPE ENERGY
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
43
tests/DFTB/regtest-scc/ch2o-5.inp
Normal file
43
tests/DFTB/regtest-scc/ch2o-5.inp
Normal file
|
|
@ -0,0 +1,43 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DISPERSION T
|
||||
ORTHOGONAL_BASIS F
|
||||
DO_EWALD F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS ATOMIC
|
||||
MAX_SCF 20
|
||||
&OT ON
|
||||
PRECONDITIONER NONE
|
||||
&END OT
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O
|
||||
RUN_TYPE GEO_OPT
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
40
tests/DFTB/regtest-scc/ch2o.inp
Normal file
40
tests/DFTB/regtest-scc/ch2o.inp
Normal file
|
|
@ -0,0 +1,40 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DISPERSION T
|
||||
ORTHOGONAL_BASIS F
|
||||
DO_EWALD F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
O 0.051368 0.000000 0.000000
|
||||
C 1.278612 0.000000 0.000000
|
||||
H 1.870460 0.939607 0.000000
|
||||
H 1.870460 -0.939607 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CH2O
|
||||
RUN_TYPE ENERGY
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
39
tests/DFTB/regtest-scc/co.inp
Normal file
39
tests/DFTB/regtest-scc/co.inp
Normal file
|
|
@ -0,0 +1,39 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
ORTHOGONAL_BASIS F
|
||||
DO_EWALD F
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
SK_FILE C C cc.spl
|
||||
SK_FILE C O co.spl
|
||||
SK_FILE O C oc.spl
|
||||
SK_FILE O O oo.spl
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 1.0
|
||||
&END SCF
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 20.0 20.0 20.0
|
||||
UNIT ANGSTROM
|
||||
PERIODIC NONE
|
||||
&END CELL
|
||||
&COORD
|
||||
C 0.000000 0.000000 0.000000
|
||||
O 1.100000 0.000000 0.000000
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT CO
|
||||
RUN_TYPE ENERGY_FORCE
|
||||
PRINT_LEVEL HIGH
|
||||
&END GLOBAL
|
||||
157
tests/DFTB/regtest-scc/h2o-1.inp
Normal file
157
tests/DFTB/regtest-scc/h2o-1.inp
Normal file
|
|
@ -0,0 +1,157 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DO_EWALD T
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 0.2
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&POISSON
|
||||
&EWALD
|
||||
EWALD_TYPE SPME
|
||||
&END EWALD
|
||||
&END POISSON
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2O
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NPT_I
|
||||
STEPS 5
|
||||
TIMESTEP 0.48
|
||||
TEMPERATURE 330.0
|
||||
PV_AVA T
|
||||
PV_NUM F
|
||||
PV_DIA F
|
||||
&NOSE
|
||||
LENGTH 3
|
||||
YOSHIDA 3
|
||||
TIMECON [wavenumber_t] 2000
|
||||
MTS 2
|
||||
&END NOSE
|
||||
&BAROSTAT
|
||||
PRESSURE 1.0
|
||||
TIMECON 300
|
||||
&END BAROSTAT
|
||||
&END MD
|
||||
&END MOTION
|
||||
147
tests/DFTB/regtest-scc/h2o-2.inp
Normal file
147
tests/DFTB/regtest-scc/h2o-2.inp
Normal file
|
|
@ -0,0 +1,147 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DO_EWALD T
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 0.2
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&POISSON
|
||||
&EWALD
|
||||
EWALD_TYPE SPME
|
||||
GMAX 25
|
||||
O_SPLINE 5
|
||||
&END EWALD
|
||||
&END POISSON
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2O
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NVE
|
||||
STEPS 5
|
||||
TIMESTEP 0.48
|
||||
TEMPERATURE 330.0
|
||||
&END MD
|
||||
&END MOTION
|
||||
|
||||
156
tests/DFTB/regtest-scc/h2o-3.inp
Normal file
156
tests/DFTB/regtest-scc/h2o-3.inp
Normal file
|
|
@ -0,0 +1,156 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DO_EWALD T
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS ATOMIC
|
||||
MIXING 0.2
|
||||
MAX_SCF 20
|
||||
&OT ON
|
||||
PRECONDITIONER NONE
|
||||
&END OT
|
||||
&END SCF
|
||||
&POISSON
|
||||
&EWALD
|
||||
EWALD_TYPE SPME
|
||||
GMAX 25
|
||||
O_SPLINE 5
|
||||
&END EWALD
|
||||
&END POISSON
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2O
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NVT
|
||||
STEPS 2
|
||||
TIMESTEP 0.48
|
||||
TEMPERATURE 330.0
|
||||
&NOSE
|
||||
LENGTH 3
|
||||
YOSHIDA 3
|
||||
TIMECON [wavenumber_t] 2000
|
||||
MTS 2
|
||||
&END NOSE
|
||||
&END MD
|
||||
&END MOTION
|
||||
|
||||
160
tests/DFTB/regtest-scc/h2o-4.inp
Normal file
160
tests/DFTB/regtest-scc/h2o-4.inp
Normal file
|
|
@ -0,0 +1,160 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DO_EWALD T
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 0.2
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&POISSON
|
||||
&EWALD
|
||||
EWALD_TYPE SPME
|
||||
GMAX 25
|
||||
O_SPLINE 5
|
||||
&END EWALD
|
||||
&END POISSON
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2O
|
||||
RUN_TYPE MD
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
&MOTION
|
||||
&MD
|
||||
ENSEMBLE NPT_I
|
||||
STEPS 2
|
||||
TIMESTEP 0.48
|
||||
TEMPERATURE 330.0
|
||||
PV_AVA T
|
||||
PV_NUM F
|
||||
PV_DIA F
|
||||
&NOSE
|
||||
LENGTH 3
|
||||
YOSHIDA 3
|
||||
TIMECON [wavenumber_t] 2000
|
||||
MTS 2
|
||||
&END NOSE
|
||||
&BAROSTAT
|
||||
PRESSURE 1.0
|
||||
TIMECON 300
|
||||
&END BAROSTAT
|
||||
&END MD
|
||||
&END MOTION
|
||||
|
||||
138
tests/DFTB/regtest-scc/h2o.inp
Normal file
138
tests/DFTB/regtest-scc/h2o.inp
Normal file
|
|
@ -0,0 +1,138 @@
|
|||
&FORCE_EVAL
|
||||
&DFT
|
||||
&QS
|
||||
METHOD DFTB
|
||||
&DFTB
|
||||
SELF_CONSISTENT T
|
||||
DO_EWALD T
|
||||
DISPERSION T
|
||||
&PARAMETER
|
||||
PARAM_FILE_PATH ../scc
|
||||
PARAM_FILE_NAME scc_parameter
|
||||
UFF_FORCE_FIELD ../uff_table
|
||||
&END PARAMETER
|
||||
&END DFTB
|
||||
&END QS
|
||||
&SCF
|
||||
SCF_GUESS CORE
|
||||
MIXING 0.2
|
||||
MAX_SCF 20
|
||||
&END SCF
|
||||
&POISSON
|
||||
&EWALD
|
||||
EWALD_TYPE SPME
|
||||
GMAX 25
|
||||
O_SPLINE 5
|
||||
&END EWALD
|
||||
&END POISSON
|
||||
&END DFT
|
||||
&SUBSYS
|
||||
&CELL
|
||||
ABC 9.865 9.865 9.865
|
||||
UNIT ANGSTROM
|
||||
&END CELL
|
||||
&COORD
|
||||
O -4.583 5.333 1.560 H2O
|
||||
H -3.777 5.331 0.943 H2O
|
||||
H -5.081 4.589 1.176 H2O
|
||||
O -0.083 4.218 0.070 H2O
|
||||
H -0.431 3.397 0.609 H2O
|
||||
H 0.377 3.756 -0.688 H2O
|
||||
O -1.488 2.692 4.125 H2O
|
||||
H -2.465 2.433 3.916 H2O
|
||||
H -1.268 2.145 4.952 H2O
|
||||
O -2.461 -2.548 -6.136 H2O
|
||||
H -1.892 -2.241 -6.921 H2O
|
||||
H -1.970 -3.321 -5.773 H2O
|
||||
O 4.032 0.161 2.183 H2O
|
||||
H 4.272 -0.052 1.232 H2O
|
||||
H 4.044 -0.760 2.641 H2O
|
||||
O 2.950 -3.497 -1.006 H2O
|
||||
H 2.599 -3.901 -0.129 H2O
|
||||
H 3.193 -4.283 -1.533 H2O
|
||||
O -2.890 -4.797 -2.735 H2O
|
||||
H -2.810 -5.706 -2.297 H2O
|
||||
H -2.437 -4.128 -2.039 H2O
|
||||
O -0.553 0.922 -3.731 H2O
|
||||
H -0.163 1.552 -3.085 H2O
|
||||
H -1.376 0.544 -3.469 H2O
|
||||
O 4.179 4.017 4.278 H2O
|
||||
H 3.275 3.832 3.876 H2O
|
||||
H 4.658 4.492 3.572 H2O
|
||||
O 5.739 1.425 3.944 H2O
|
||||
H 5.125 2.066 4.346 H2O
|
||||
H 5.173 1.181 3.097 H2O
|
||||
O 0.988 -0.760 -5.445 H2O
|
||||
H 1.640 -1.372 -4.989 H2O
|
||||
H 0.546 -0.220 -4.762 H2O
|
||||
O -0.748 1.985 1.249 H2O
|
||||
H -0.001 1.490 1.540 H2O
|
||||
H -1.160 2.255 2.109 H2O
|
||||
O 4.127 -0.234 -3.149 H2O
|
||||
H 5.022 -0.436 -3.428 H2O
|
||||
H 3.540 -0.918 -3.601 H2O
|
||||
O -2.473 2.768 -1.395 H2O
|
||||
H -1.533 2.719 -1.214 H2O
|
||||
H -2.702 1.808 -1.479 H2O
|
||||
O -0.124 -2.116 2.404 H2O
|
||||
H 0.612 -2.593 2.010 H2O
|
||||
H 0.265 -1.498 3.089 H2O
|
||||
O 0.728 2.823 -2.190 H2O
|
||||
H 0.646 3.694 -2.685 H2O
|
||||
H 1.688 2.705 -1.947 H2O
|
||||
O 4.256 -5.427 -2.644 H2O
|
||||
H 5.222 -5.046 -2.479 H2O
|
||||
H 4.174 -5.628 -3.593 H2O
|
||||
O -3.178 -0.508 -4.227 H2O
|
||||
H -2.762 -1.221 -4.818 H2O
|
||||
H -3.603 0.073 -4.956 H2O
|
||||
O -1.449 5.300 -4.805 H2O
|
||||
H -1.397 4.470 -5.317 H2O
|
||||
H -2.102 5.091 -4.067 H2O
|
||||
O 3.354 2.192 -1.755 H2O
|
||||
H 3.407 1.433 -2.405 H2O
|
||||
H 3.971 2.958 -2.196 H2O
|
||||
O 1.773 -4.018 1.769 H2O
|
||||
H 1.121 -4.532 1.201 H2O
|
||||
H 1.975 -4.529 2.618 H2O
|
||||
O 1.526 1.384 2.712 H2O
|
||||
H 2.317 1.070 2.251 H2O
|
||||
H 1.353 0.657 3.364 H2O
|
||||
O 2.711 -2.398 -4.253 H2O
|
||||
H 2.202 -3.257 -4.120 H2O
|
||||
H 3.305 -2.610 -5.099 H2O
|
||||
O 6.933 0.093 -1.393 H2O
|
||||
H 6.160 -0.137 -0.795 H2O
|
||||
H 6.748 -0.394 -2.229 H2O
|
||||
O -5.605 -2.549 3.151 H2O
|
||||
H -4.756 -2.503 3.616 H2O
|
||||
H -5.473 -3.187 2.378 H2O
|
||||
O 0.821 -4.406 6.516 H2O
|
||||
H 0.847 -3.675 7.225 H2O
|
||||
H -0.014 -4.240 5.988 H2O
|
||||
O 1.577 3.933 3.762 H2O
|
||||
H 1.221 2.975 3.640 H2O
|
||||
H 1.367 4.126 4.659 H2O
|
||||
O -2.111 -3.741 -0.219 H2O
|
||||
H -1.378 -4.425 -0.036 H2O
|
||||
H -1.825 -2.775 0.003 H2O
|
||||
O 0.926 -1.961 -2.063 H2O
|
||||
H 0.149 -1.821 -1.402 H2O
|
||||
H 1.725 -2.303 -1.536 H2O
|
||||
O 4.531 -1.030 -0.547 H2O
|
||||
H 4.290 -1.980 -0.581 H2O
|
||||
H 4.292 -0.597 -1.390 H2O
|
||||
O -0.740 -1.262 -0.029 H2O
|
||||
H -1.272 -0.422 -0.099 H2O
|
||||
H -0.403 -1.349 0.873 H2O
|
||||
O 3.655 3.021 0.988 H2O
|
||||
H 2.706 3.053 1.282 H2O
|
||||
H 3.542 2.615 0.020 H2O
|
||||
&END COORD
|
||||
&END SUBSYS
|
||||
&END FORCE_EVAL
|
||||
&GLOBAL
|
||||
PROJECT H2O
|
||||
RUN_TYPE ENERGY_FORCE
|
||||
PRINT_LEVEL LOW
|
||||
&END GLOBAL
|
||||
573
tests/DFTB/scc/cc.spl
Normal file
573
tests/DFTB/scc/cc.spl
Normal file
|
|
@ -0,0 +1,573 @@
|
|||
0.02, 500 ,2
|
||||
0.0 -0.19435511 -0.50489172, -0.0439, 0.0 0.3833 0.4175 0.0 2.0 2.0 T 0.341975 0.387425
|
||||
12.01, 19*0.0
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -9.857627770306e-01 -1.322146418755e+00 0.0 -3.205032176533e-01 -1.149953917193e+00 5*0.0 8.390837898941e-01 9.445301524004e-01 0.0 -1.235597491995e-01 9.214138166765e-01
|
||||
5*0.0 -9.445497245027e-01 -1.304994542651e+00 0.0 -3.078069280567e-01 -1.102295808589e+00 5*0.0 8.240224723510e-01 9.391522702670e-01 0.0 -1.312430556107e-01 9.155919930476e-01
|
||||
5*0.0 -9.032215957783e-01 -1.287524040226e+00 0.0 -2.935504266044e-01 -1.058190729131e+00 5*0.0 8.084770372698e-01 9.335675736132e-01 0.0 -1.390460720987e-01 9.097551493047e-01
|
||||
5*0.0 -8.619012724954e-01 -1.269775685959e+00 0.0 -2.779076480192e-01 -1.017500492737e+00 5*0.0 7.924751912945e-01 9.277825918831e-01 0.0 -1.469591011131e-01 9.039147054447e-01
|
||||
5*0.0 -8.207054847672e-01 -1.251785755023e+00 0.0 -2.610461179812e-01 -9.800728861620e-01 5*0.0 7.760446300704e-01 9.218039207457e-01 0.0 -1.549718841034e-01 8.980804432542e-01
|
||||
5*0.0 -7.797390586105e-01 -1.233592519529e+00 0.0 -2.431236058193e-01 -9.457485539078e-01 5*0.0 7.592129688415e-01 9.156382070024e-01 0.0 -1.630736991243e-01 8.922606248647e-01
|
||||
5*0.0 -7.390952736551e-01 -1.215230996481e+00 0.0 -2.242903047727e-01 -9.143610688380e-01 5*0.0 7.420076787108e-01 9.092921344180e-01 0.0 -1.712534515552e-01 8.864621106695e-01
|
||||
5*0.0 -6.988605384206e-01 -1.196732416228e+00 0.0 -2.046893910448e-01 -8.857392823773e-01 5*0.0 7.244560282232e-01 9.027724104399e-01 0.0 -1.794997580555e-01 8.806904751207e-01
|
||||
5*0.0 -6.591168227510e-01 -1.178128876770e+00 0.0 -1.844546827491e-01 -8.597141094322e-01 5*0.0 7.065850299394e-01 8.960857537658e-01 0.0 -1.878010239463e-01 8.749501192769e-01
|
||||
5*0.0 -6.199399344456e-01 -1.159451037476e+00 0.0 -1.637110902880e-01 -8.361194539325e-01 5*0.0 6.884213916846e-01 8.892388827236e-01 0.0 -1.961455142674e-01 8.692443792571e-01
|
||||
5*0.0 -5.813950906413e-01 -1.140725458552e+00 0.0 -1.425757689896e-01 -8.147896688559e-01 5*0.0 6.699914721698e-01 8.822385044241e-01 0.0 -2.045214187919e-01 8.635756299950e-01
|
||||
5*0.0 -5.435352090833e-01 -1.121977112237e+00 0.0 -1.211574120509e-01 -7.955607633754e-01 5*0.0 6.513212407014e-01 8.750913046476e-01 0.0 -2.129169113029e-01 8.579453838753e-01
|
||||
5*0.0 -5.064052177699e-01 -1.103231186483e+00 0.0 -9.955610461997e-02 -7.782738507914e-01 5*0.0 6.324362407117e-01 8.678039384288e-01 0.0 -2.213202034505e-01 8.523543839900e-01
|
||||
5*0.0 -4.700480861515e-01 -1.084511499808e+00 0.0 -7.786465638449e-02 -7.627769415697e-01 5*0.0 6.133615568617e-01 8.603830213023e-01 0.0 -2.297195935096e-01 8.468026918761e-01
|
||||
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5*0.0 8.657117139173e-02 -1.821236955713e-02 0.0 7.374830118628e-02 -5.644038474310e-02 5*0.0 -1.049948932770e-01 1.851587281220e-02 0.0 -7.210217775851e-02 4.696624516253e-02
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5*0.0 8.032620385219e-02 -1.629891147794e-02 0.0 6.744163894075e-02 -5.101343316590e-02 5*0.0 -9.583634114352e-02 1.628333818031e-02 0.0 -6.501484275916e-02 4.192367184706e-02
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5*0.0 7.881477660309e-02 -1.584982348054e-02 0.0 6.593429557506e-02 -4.972848270617e-02 5*0.0 -9.363841085459e-02 1.576456402424e-02 0.0 -6.333348445464e-02 4.073797337646e-02
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5*0.0 7.732318905555e-02 -1.541193243616e-02 0.0 6.445406823067e-02 -4.847130331385e-02 5*0.0 -9.147695431253e-02 1.526075373287e-02 0.0 -6.168739678824e-02 3.958115190888e-02
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5*0.0 7.585138843349e-02 -1.498499025183e-02 0.0 6.300064745732e-02 -4.724142957640e-02 5*0.0 -8.935183222122e-02 1.477153092998e-02 0.0 -6.007611291853e-02 3.845266497920e-02
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5*0.0 7.439931663333e-02 -1.456875367866e-02 0.0 6.157372238063e-02 -4.603839997710e-02 5*0.0 -8.726288687077e-02 1.429652686182e-02 0.0 -5.849916271274e-02 3.735197496652e-02
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5*0.0 7.296691036643e-02 -1.416298422281e-02 0.0 6.017298088731e-02 -4.486175698753e-02 5*0.0 -8.520994296649e-02 1.383538030488e-02 0.0 -5.695607319230e-02 3.627854924841e-02
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5*0.0 7.155410130459e-02 -1.376744805845e-02 0.0 5.879810980719e-02 -4.371104715582e-02 5*0.0 -8.319280843975e-02 1.338773747236e-02 0.0 -5.544636896347e-02 3.523186034568e-02
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5*0.0 7.016081622707e-02 -1.338191594272e-02 0.0 5.744879509154e-02 -4.258582119057e-02 5*0.0 -8.121127524071e-02 1.295325191958e-02 0.0 -5.396957263320e-02 3.421138605813e-02
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5*0.0 6.878697716797e-02 -1.300616313255e-02 0.0 5.612472198743e-02 -4.148563404030e-02 5*0.0 -7.926512011293e-02 1.253158444848e-02 0.0 -5.252520521042e-02 3.321660959137e-02
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5*0.0 6.743250156255e-02 -1.263996930342e-02 0.0 5.482557520789e-02 -4.041004496874e-02 5*0.0 -7.735410534987e-02 1.212240301114e-02 0.0 -5.111278649309e-02 3.224701967503e-02
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5*0.0 4.937035473376e-02 -8.156961211846e-03 0.0 3.811528664479e-02 -2.694218084421e-02 5*0.0 -5.270797054474e-02 7.277949454673e-03 0.0 -3.343407984980e-02 2.039586286943e-02
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5*0.0 3.284162631785e-02 -4.705299803713e-03 0.0 2.390251412544e-02 -1.610525041048e-02 5*0.0 -3.187848413876e-02 3.829022595538e-03 0.0 -1.934481206879e-02 1.139049170771e-02
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5*0.0 3.131622525234e-02 -4.418723738540e-03 0.0 2.264831266975e-02 -1.518160593781e-02 5*0.0 -3.006147556947e-02 3.558271138177e-03 0.0 -1.815855077965e-02 1.065405850735e-02
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5*0.0 3.057509834714e-02 -4.281491898017e-03 0.0 2.204271714160e-02 -1.473775748926e-02 5*0.0 -2.918605530703e-02 3.429665610767e-03 0.0 -1.758975750745e-02 1.030232525417e-02
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5*0.0 2.984812242570e-02 -4.148161271059e-03 0.0 2.145111252327e-02 -1.430553696295e-02 5*0.0 -2.833216419419e-02 3.305391488571e-03 0.0 -1.703670558857e-02 9.961201993209e-03
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5*0.0 2.913512311556e-02 -4.018632483045e-03 0.0 2.087324277082e-02 -1.388468403538e-02 5*0.0 -2.749940991950e-02 3.185316744632e-03 0.0 -1.649903899857e-02 9.630411709454e-03
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5*0.0 2.843592551700e-02 -3.892808359059e-03 0.0 2.030885457623e-02 -1.347494284430e-02 5*0.0 -2.668740266469e-02 3.069312873783e-03 0.0 -1.597640705578e-02 9.309683046855e-03
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5*0.0 2.775035429330e-02 -3.770593883552e-03 0.0 1.975769739587e-02 -1.307606195299e-02 5*0.0 -2.589575527938e-02 2.957254815585e-03 0.0 -1.546846443694e-02 8.998750246186e-03
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5*0.0 2.707823375966e-02 -3.651896160525e-03 0.0 1.921952347717e-02 -1.268779431309e-02 5*0.0 -2.512408344639e-02 2.849020878382e-03 0.0 -1.497487118811e-02 8.697353081594e-03
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5*0.0 2.641938797072e-02 -3.536624374470e-03 0.0 1.869408788323e-02 -1.230989722748e-02 5*0.0 -2.437200583785e-02 2.744492664459e-03 0.0 -1.449529273120e-02 8.405236795901e-03
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5*0.0 2.577364080651e-02 -3.424689751644e-03 0.0 1.818114851547e-02 -1.194213231122e-02 5*0.0 -2.363914426238e-02 2.643554996342e-03 0.0 -1.402939986621e-02 8.122152034783e-03
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5*0.0 2.514081605674e-02 -3.316005522140e-03 0.0 1.768046613432e-02 -1.158426545262e-02 5*0.0 -2.292512380373e-02 2.546095844203e-03 0.0 -1.357686876949e-02 7.847854779920e-03
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5*0.0 2.452073750333e-02 -3.210486882363e-03 0.0 1.719180437794e-02 -1.123606677296e-02 5*0.0 -2.222957295084e-02 2.452006254409e-03 0.0 -1.313738098798e-02 7.582106281202e-03
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5*0.0 2.391322900115e-02 -3.108050958026e-03 0.0 1.671492977892e-02 -1.089731058528e-02 5*0.0 -2.155212371995e-02 2.361180279190e-03 0.0 -1.271062342982e-02 7.324672988097e-03
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5*0.0 2.331811455682e-02 -3.008616767840e-03 0.0 1.624961177920e-02 -1.056777535312e-02 5*0.0 -2.089241176863e-02 2.273514907444e-03 0.0 -1.229628835137e-02 7.075326480250e-03
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5*0.0 2.273521840560e-02 -2.912105187558e-03 0.0 1.579562274294e-02 -1.024724364797e-02 5*0.0 -2.025007650225e-02 2.188909996667e-03 0.0 -1.189407334079e-02 6.833843397418e-03
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5*0.0 2.216436508620e-02 -2.818438914637e-03 0.0 1.535273796754e-02 -9.935502106284e-03 5*0.0 -1.962476117297e-02 2.107268206012e-03 0.0 -1.150368129842e-02 6.600005368813e-03
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5*0.0 2.160537951357e-02 -2.727542433325e-03 0.0 1.492073569275e-02 -9.632341385846e-03 5*0.0 -1.901611297158e-02 2.028494930476e-03 0.0 -1.112482041408e-02 6.373598941923e-03
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5*0.0 2.105808704967e-02 -2.639341980377e-03 0.0 1.449939710812e-02 -9.337556121589e-03 5*0.0 -1.842378311231e-02 1.952498236206e-03 0.0 -1.075720414137e-02 6.154415510911e-03
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5*0.0 2.052231357203e-02 -2.553765511152e-03 0.0 1.408850635847e-02 -9.050944880834e-03 5*0.0 -1.784742691098e-02 1.879188796929e-03 0.0 -1.040055116925e-02 5.942251244637e-03
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5*0.0 1.999788554026e-02 -2.470742666259e-03 0.0 1.368785054775e-02 -8.772310118050e-03 5*0.0 -1.728670385659e-02 1.808479831493e-03 0.0 -1.005458539092e-02 5.736907014396e-03
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5*0.0 1.948463006043e-02 -2.390204738695e-03 0.0 1.329721974116e-02 -8.501458129153e-03 5*0.0 -1.674127767667e-02 1.740287042518e-03 0.0 -9.719035870177e-03 5.538188321424e-03
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5*0.0 1.898237494729e-02 -2.312084641420e-03 0.0 1.291640696559e-02 -8.238199005443e-03 5*0.0 -1.621081639649e-02 1.674528556158e-03 0.0 -9.393636805444e-03 5.345905224247e-03
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5*0.0 1.849094878441e-02 -2.236316875501e-03 0.0 1.254520820856e-02 -7.982346587056e-03 5*0.0 -1.569499239246e-02 1.611124862946e-03 0.0 -9.078127491511e-03 5.159872265929e-03
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5*0.0 1.801018098220e-02 -2.162837498650e-03 0.0 1.218342241552e-02 -7.733718416205e-03 5*0.0 -1.519348243987e-02 1.549998759748e-03 0.0 -8.772252279165e-03 4.979908401279e-03
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5*0.0 1.753990183378e-02 -2.091584094253e-03 0.0 1.183085148564e-02 -7.492135690006e-03 5*0.0 -1.470596775520e-02 1.491075292784e-03 0.0 -8.475760532823e-03 4.805836924081e-03
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5*0.0 1.707994256888e-02 -2.022495740919e-03 0.0 1.148730026635e-02 -7.257423213283e-03 5*0.0 -1.423213403310e-02 1.434281701738e-03 0.0 -8.188406586284e-03 4.637485394387e-03
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5*0.0 1.663013540557e-02 -1.955512982425e-03 0.0 1.115257654617e-02 -7.029409350797e-03 5*0.0 -1.377167147845e-02 1.379547364922e-03 0.0 -7.909949696726e-03 4.474685565944e-03
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5*0.0 1.619031360004e-02 -1.890577798159e-03 0.0 1.082649104650e-02 -6.807925979604e-03 5*0.0 -1.332427483347e-02 1.326803745509e-03 0.0 -7.640153997048e-03 4.317273313785e-03
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5*0.0 1.576031149432e-02 -1.827633574017e-03 0.0 1.050885741194e-02 -6.592808441124e-03 5*0.0 -1.288964340020e-02 1.275984338808e-03 0.0 -7.378788446672e-03 4.165088562046e-03
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5*0.0 1.533996456201e-02 -1.766625073754e-03 0.0 1.019949219947e-02 -6.383895493209e-03 5*0.0 -1.246748105847e-02 1.227024620582e-03 0.0 -7.125626780917e-03 4.017975212053e-03
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5*0.0 1.492910945215e-02 -1.707498410761e-03 0.0 9.898214866348e-03 -6.181029261943e-03 5*0.0 -1.205749627960e-02 1.179861996392e-03 0.0 -6.880447459030e-03 3.875781070709e-03
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5*0.0 1.452758403104e-02 -1.650201020328e-03 0.0 9.604847756987e-03 -5.984055193575e-03 5*0.0 -1.165940213598e-02 1.134435751961e-03 0.0 -6.643033610999e-03 3.738357779239e-03
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5*0.0 1.413522742225e-02 -1.594681632306e-03 0.0 9.319216088627e-03 -5.792822006347e-03 5*0.0 -1.127291630663e-02 1.090687004546e-03 0.0 -6.413172983213e-03 3.605560742316e-03
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5*0.0 1.375188004474e-02 -1.540890244230e-03 0.0 9.041147936049e-03 -5.607181642418e-03 5*0.0 -1.089776107909e-02 1.048558655306e-03 0.0 -6.190657883095e-03 3.477249057626e-03
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5*0.0 1.337738364916e-02 -1.488778094867e-03 0.0 8.770474215209e-03 -5.426989219650e-03 5*0.0 -1.053366334754e-02 1.007995342656e-03 0.0 -5.975285122760e-03 3.353285445876e-03
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5*0.0 1.301158135231e-02 -1.438297638175e-03 0.0 8.507028665945e-03 -5.252102983681e-03 5*0.0 -1.018035460761e-02 9.689433965937e-04 0.0 -5.766855961826e-03 3.233536181309e-03
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5*0.0 1.265431766988e-02 -1.389402517718e-03 0.0 8.250647833828e-03 -5.082384259930e-03 5*0.0 -9.837570947799e-03 9.313507939923e-04 0.0 -5.565176049417e-03 3.117871022736e-03
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5*0.0 1.230543854741e-02 -1.342047541468e-03 0.0 8.001171051012e-03 -4.917697405740e-03 5*0.0 -9.505053037748e-03 8.951671148373e-04 0.0 -5.370055365483e-03 3.006163145129e-03
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5*0.0 1.196479138958e-02 -1.296188657030e-03 0.0 7.758440416361e-03 -4.757909762746e-03 5*0.0 -9.182546113540e-03 8.603434994065e-04 0.0 -5.181308161472e-03 2.898289071784e-03
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5*0.0 1.163222508774e-02 -1.251782927287e-03 0.0 7.522300774704e-03 -4.602891609268e-03 5*0.0 -8.869799960118e-03 8.268326063739e-04 0.0 -4.998752900463e-03 2.794128607104e-03
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5*0.0 1.130759004591e-02 -1.208788506420e-03 0.0 7.292599695361e-03 -4.452516113076e-03 5*0.0 -8.566568891000e-03 7.945885718263e-04 0.0 -4.822212196810e-03 2.693564770004e-03
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5*0.0 1.099073820504e-02 -1.167164616343e-03 0.0 7.069187449924e-03 -4.306659283979e-03 5*0.0 -8.272611725401e-03 7.635669691815e-04 0.0 -4.651512755372e-03 2.596483727974e-03
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5*0.0 1.068152306577e-02 -1.126871523586e-03 0.0 6.851916989422e-03 -4.165199927257e-03 5*0.0 -7.987691762913e-03 7.337247699940e-04 0.0 -4.486485310402e-03 2.502774731816e-03
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5*0.0 1.037979970957e-02 -1.087870516427e-03 0.0 6.640643920672e-03 -4.028019596544e-03 5*0.0 -7.711576755869e-03 7.050203056357e-04 0.0 -4.326964564144e-03 2.412330051080e-03
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5*0.0 1.008542481838e-02 -1.050123882596e-03 0.0 6.435226482215e-03 -3.895002547778e-03 5*0.0 -7.444038879505e-03 6.774132298390e-04 0.0 -4.172789125217e-03 2.325044910204e-03
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5*0.0 9.798256692778e-03 -1.013594887213e-03 0.0 6.235525519500e-03 -3.766035692796e-03 5*0.0 -7.184854700058e-03 6.508644820892e-04 0.0 -4.023801446826e-03 2.240817425393e-03
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5*0.0 9.518155268580e-03 -9.782477511816e-04 0.0 6.041404459609e-03 -3.641008553544e-03 5*0.0 -6.933805140911e-03 6.253362518527e-04 0.0 -3.879847764869e-03 2.159548542242e-03
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5*0.0 9.244982132107e-03 -9.440476298783e-04 0.0 5.852729285351e-03 -3.519813216431e-03 5*0.0 -6.690675446891e-03 6.007919436290e-04 0.0 -3.740778035992e-03 2.081141974111e-03
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5*0.0 8.978600533996e-03 -9.109605923494e-04 0.0 5.669368509055e-03 -3.402344287192e-03 5*0.0 -6.455255146850e-03 5.771961428122e-04 0.0 -3.606445875632e-03 2.005504141282e-03
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5*0.0 8.718875401623e-03 -8.789536007341e-04 0.0 5.491193145712e-03 -3.288498845909e-03 5*0.0 -6.227338014621e-03 5.545145823497e-04 0.0 -3.476708496117e-03 1.932544110897e-03
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5*0.0 8.465673350196e-03 -8.479944901197e-04 0.0 5.318076685787e-03 -3.178176402472e-03 5*0.0 -6.006722028456e-03 5.327141101849e-04 0.0 -3.351426644844e-03 1.862173537688e-03
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5*0.0 8.218862692516e-03 -8.180519487402e-04 0.0 5.149895067613e-03 -3.071278852391e-03 5*0.0 -5.793209329053e-03 5.117626574699e-04 0.0 -3.230464542611e-03 1.794306605517e-03
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5*0.0 7.978313447468e-03 -7.890954985403e-04 0.0 4.986526649424e-03 -2.967710432976e-03 5*0.0 -5.586606176270e-03 4.916292075374e-04 0.0 -3.113689822108e-03 1.728859969721e-03
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5*0.0 7.743897347225e-03 -7.610954760379e-04 0.0 4.827852180994e-03 -2.867377679943e-03 5*0.0 -5.386722904603e-03 4.722837656153e-04 0.0 -3.000973466646e-03 1.665752700290e-03
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5*0.0 7.515487843274e-03 -7.340230136355e-04 0.0 4.673754775082e-03 -2.770189384361e-03 5*0.0 -5.193373877546e-03 4.536973292743e-04 0.0 -2.892189749134e-03 1.604906225857e-03
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5*0.0 7.292960111211e-03 -7.078500211741e-04 0.0 4.524119878473e-03 -2.676056550075e-03 5*0.0 -5.006377440902e-03 4.358418595936e-04 0.0 -2.787216171346e-03 1.546244278529e-03
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5*0.0 7.076191054392e-03 -6.825491678761e-04 0.0 4.378835242826e-03 -2.584892351518e-03 5*0.0 -4.825555875133e-03 4.186902530324e-04 0.0 -2.685933403530e-03 1.489692839556e-03
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5*0.0 6.865059306466e-03 -6.580938646132e-04 0.0 4.237790895285e-03 -2.496612091967e-03 5*0.0 -4.650735346838e-03 4.022163139941e-04 0.0 -2.588225224369e-03 1.435180085832e-03
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5*0.0 6.659445232796e-03 -6.344582465159e-04 0.0 4.100879108894e-03 -2.411133162262e-03 5*0.0 -4.481745859430e-03 3.863947280708e-04 0.0 -2.493978461334e-03 1.382636337250e-03
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5*0.0 6.459230930846e-03 -6.116171558680e-04 0.0 3.967994372774e-03 -2.328374999863e-03 5*0.0 -4.318421203090e-03 3.712010359549e-04 0.0 -2.403082931462e-03 1.331994004891e-03
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5*0.0 4.581265547037e-03 -4.062680469194e-04 0.0 2.743999529189e-03 -1.576494838816e-03 5*0.0 -2.851828683489e-03 2.392987659263e-04 0.0 -1.595719748027e-03 8.830358753086e-04
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5*0.0 4.437278897991e-03 -3.912344838159e-04 0.0 2.651975131713e-03 -1.520793318323e-03 5*0.0 -2.744825411944e-03 2.300103804983e-04 0.0 -1.537454260209e-03 8.506327750175e-04
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5*0.0 4.297315363591e-03 -3.767255581687e-04 0.0 2.562794100897e-03 -1.466933783179e-03 5*0.0 -2.641647177269e-03 2.210989996635e-04 0.0 -1.481353649860e-03 8.194206994997e-04
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5*0.0 4.161280818889e-03 -3.627243951534e-04 0.0 2.476378785893e-03 -1.414860304686e-03 5*0.0 -2.542175283820e-03 2.125497405915e-04 0.0 -1.427343661781e-03 7.893563690905e-04
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5*0.0 1.673577876860e-03 -1.267535441618e-04 0.0 9.497049253269e-04 -5.164204075868e-04 5*0.0 -8.983128017912e-04 7.672405061452e-05 0.0 -5.407270268847e-04 2.870557108539e-04
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5*0.0 1.615600131237e-03 -1.217956678054e-04 0.0 9.155917125154e-04 -4.968790165255e-04 5*0.0 -8.651618738635e-04 7.403960799613e-05 0.0 -5.226445122566e-04 2.763520973977e-04
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5*0.0 1.559471368250e-03 -1.170248548565e-04 0.0 8.826447534983e-04 -4.780303259213e-04 5*0.0 -8.333696091613e-04 7.146085307599e-05 0.0 -5.052596896834e-04 2.660204938764e-04
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5*0.0 1.352435009312e-03 -9.968244531507e-05 0.0 7.618038662764e-04 -4.091050214276e-04 5*0.0 -7.187979669469e-04 6.211357423815e-05 0.0 -4.421528494010e-04 2.281298508537e-04
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5*0.0 1.304802892578e-03 -9.575142594391e-05 0.0 7.341599603337e-04 -3.933827859343e-04 5*0.0 -6.930704615574e-04 5.999799241258e-05 0.0 -4.278564734171e-04 2.194498065659e-04
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5*0.0 1.258728414464e-03 -9.197068347594e-05 0.0 7.074776826594e-04 -3.782232186456e-04 5*0.0 -6.684206695788e-04 5.796322452935e-05 0.0 -4.141043004450e-04 2.110620793892e-04
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5*0.0 1.129409485472e-03 -8.147654540155e-05 0.0 6.328962138330e-04 -3.359299368294e-04 5*0.0 -6.005266722609e-04 5.230896116075e-05 0.0 -3.758925999287e-04 1.875399576202e-04
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|
||||
5*0.0 2.737351985684e-05 8.357471270309e-07 0.0 -1.085124380323e-06 1.746634293391e-05 5*0.0 -4.343036030787e-05 -5.142927604638e-06 0.0 2.379448248947e-05 -4.664416901553e-05
|
||||
5*0.0 2.660371316108e-05 8.903636474814e-07 0.0 -1.654901736611e-06 1.757412380075e-05 5*0.0 -4.182171041326e-05 -5.221178403755e-06 0.0 2.473350512026e-05 -4.651403854348e-05
|
||||
5*0.0 2.584927901978e-05 9.431634834588e-07 0.0 -2.210467228256e-06 1.766992757539e-05 5*0.0 -4.022489377907e-05 -5.295764083854e-06 0.0 2.564794977103e-05 -4.636536422869e-05
|
||||
5*0.0 2.510951557057e-05 9.941892366833e-07 0.0 -2.752144525343e-06 1.775401999580e-05 5*0.0 -3.864017806530e-05 -5.366732383767e-06 0.0 2.653791559609e-05 -4.619850775803e-05
|
||||
5*0.0 2.438375986614e-05 1.043481735174e-06 0.0 -3.280241313577e-06 1.782665992018e-05 5*0.0 -3.706783138748e-05 -5.434131202066e-06 0.0 2.740350622748e-05 -4.601383062247e-05
|
||||
5*0.0 2.367138622868e-05 1.091080135608e-06 0.0 -3.795050163542e-06 1.788809969526e-05 5*0.0 -3.550812158780e-05 -5.498008595591e-06 0.0 2.824482989282e-05 -4.581169406174e-05
|
||||
5*0.0 2.297180464223e-05 1.137022014025e-06 0.0 -4.296849313650e-06 1.793858550254e-05 5*0.0 -3.396131554908e-05 -5.558412776535e-06 0.0 2.906199951529e-05 -4.559245900439e-05
|
||||
5*0.0 2.228445920573e-05 1.181343454438e-06 0.0 -4.785903442496e-06 1.797835767781e-05 5*0.0 -3.242767855016e-05 -5.615392108192e-06 0.0 2.985513279654e-05 -4.535648600358e-05
|
||||
5*0.0 2.160882664297e-05 1.224079122707e-06 0.0 -5.262464383875e-06 1.800765097758e-05 5*0.0 -3.090747366097e-05 -5.668995099473e-06 0.0 3.062435228355e-05 -4.510413516917e-05
|
||||
5*0.0 2.094441482855e-05 1.265262386398e-06 0.0 -5.726771919671e-06 1.802669502460e-05 5*0.0 -2.940096117584e-05 -5.719270398289e-06 0.0 3.136978542022e-05 -4.483576609621e-05
|
||||
5*0.0 2.029076143078e-05 1.304925331584e-06 0.0 -6.179054327205e-06 1.803571434789e-05 5*0.0 -2.790839808355e-05 -5.766266783885e-06 0.0 3.209156458452e-05 -4.455173779051e-05
|
||||
5*0.0 1.964743253489e-05 1.343098874217e-06 0.0 -6.619529114076e-06 1.803492880015e-05 5*0.0 -2.643003757261e-05 -5.810033158231e-06 0.0 3.278982711193e-05 -4.425240859135e-05
|
||||
5*0.0 1.901402134598e-05 1.379812819230e-06 0.0 -7.048403617657e-06 1.802455376480e-05 5*0.0 -2.496612857051e-05 -5.850618536536e-06 0.0 3.346471530603e-05 -4.393813609194e-05
|
||||
5*0.0 1.839014693061e-05 1.415095925842e-06 0.0 -7.465875599494e-06 1.800480038913e-05 5*0.0 -2.351691531537e-05 -5.888072036975e-06 0.0 3.411637643689e-05 -4.360927705765e-05
|
||||
5*0.0 1.777545300424e-05 1.448975971484e-06 0.0 -7.872133823141e-06 1.797587581191e-05 5*0.0 -2.208263695889e-05 -5.922442869703e-06 0.0 3.474496272805e-05 -4.326618734254e-05
|
||||
5*0.0 1.716960675216e-05 1.481479803119e-06 0.0 -8.267358561063e-06 1.793798334239e-05 5*0.0 -2.066352719915e-05 -5.953780325225e-06 0.0 3.535063133264e-05 -4.290922180437e-05
|
||||
5*0.0 1.657229771049e-05 1.512633404169e-06 0.0 -8.651722169525e-06 1.789132270075e-05 5*0.0 -1.925981394217e-05 -5.982133762201e-06 0.0 3.593354429940e-05 -4.253873421839e-05
|
||||
5*0.0 1.598323666942e-05 1.542461940131e-06 0.0 -9.025389548009e-06 1.783609017331e-05 5*0.0 -1.787171899083e-05 -6.007552594734e-06 0.0 3.649386852926e-05 -4.215507719008e-05
|
||||
5*0.0 1.540215462494e-05 1.570989810474e-06 0.0 -9.388518622236e-06 1.777247879418e-05 5*0.0 -1.649945776019e-05 -6.030086279213e-06 0.0 3.703177572289e-05 -4.175860206729e-05
|
||||
5*0.0 1.482880176704e-05 1.598240696078e-06 0.0 -9.741260796177e-06 1.770067850903e-05 5*0.0 -1.514323901802e-05 -6.049784300777e-06 0.0 3.754744232005e-05 -4.134965885173e-05
|
||||
5*0.0 1.426294650511e-05 1.624237604101e-06 0.0 -1.008376138305e-05 1.762087632884e-05 5*0.0 -1.380326464933e-05 -6.066696159430e-06 0.0 3.804104943114e-05 -4.092859611025e-05
|
||||
5*0.0 1.370437453010e-05 1.649002911062e-06 0.0 -1.041616001880e-05 1.753325647851e-05 5*0.0 -1.247972944399e-05 -6.080871355886e-06 0.0 3.851278276148e-05 -4.049576088604e-05
|
||||
5*0.0 1.315288790933e-05 1.672558400287e-06 0.0 -1.073859104190e-05 1.743800051411e-05 5*0.0 -1.117282090638e-05 -6.092359377179e-06 0.0 3.896283252897e-05 -4.005149860988e-05
|
||||
5*0.0 1.260830422028e-05 1.694925303579e-06 0.0 -1.105118388242e-05 1.733528747609e-05 5*0.0 -9.882719086021e-06 -6.101209682083e-06 0.0 3.939139337547e-05 -3.959615301173e-05
|
||||
5*0.0 1.207045571273e-05 1.716124337117e-06 0.0 -1.135406341409e-05 1.722529403231e-05 5*0.0 -8.609596428295e-06 -6.107471686391e-06 0.0 3.979866427246e-05 -3.913006603274e-05
|
||||
5*0.0 1.153918850578e-05 1.736175724891e-06 0.0 -1.164735025685e-05 1.710819441308e-05 5*0.0 -7.353617644280e-06 -6.111194748095e-06 0.0 4.018484842141e-05 -3.865357773792e-05
|
||||
5*0.0 1.101436181463e-05 1.755099246074e-06 0.0 -1.193116114764e-05 1.698416080043e-05 5*0.0 -6.114939598842e-06 -6.112428152496e-06 0.0 4.055015314931e-05 -3.816702622958e-05
|
||||
5*0.0 1.049584720929e-05 1.772914254595e-06 0.0 -1.220560921306e-05 1.685336320822e-05 5*0.0 -4.893711216091e-06 -6.111221097293e-06 0.0 4.089478979976e-05 -3.767074756163e-05
|
||||
5*0.0 9.983527905355e-06 1.789639702852e-06 0.0 -1.247080424496e-05 1.671596963469e-05 5*0.0 -3.690073401368e-06 -6.107622677673e-06 0.0 4.121897362001e-05 -3.716507565495e-05
|
||||
5*0.0 9.477298063311e-06 1.805294194365e-06 0.0 -1.272685303825e-05 1.657214616634e-05 5*0.0 -2.504158978968e-06 -6.101681871447e-06 0.0 4.152292364439e-05 -3.665034221400e-05
|
||||
5*0.0 8.977062157308e-06 1.819895970099e-06 0.0 -1.297385955533e-05 1.642205701289e-05 5*0.0 -1.336092644789e-06 -6.093447524240e-06 0.0 4.180686257438e-05 -3.612687664456e-05
|
||||
5*0.0 8.482734325462e-06 1.833462953667e-06 0.0 -1.321192521628e-05 1.626586458692e-05 5*0.0 -1.859909331860e-07 -6.082968334797e-06 0.0 4.207101665586e-05 -3.559500597304e-05
|
||||
5*0.0 7.994237775129e-06 1.846012771916e-06 0.0 -1.344114913948e-05 1.610372959102e-05 5*0.0 9.460378027291e-07 -6.070292840386e-06 0.0 4.231561555361e-05 -3.505505476709e-05
|
||||
5*0.0 7.511504200561e-06 1.857562771480e-06 0.0 -1.366162834001e-05 1.593581105488e-05 5*0.0 2.059893398024e-06 -6.055469402369e-06 0.0 4.254089222364e-05 -3.450734505796e-05
|
||||
5*0.0 7.034473228710e-06 1.868130038368e-06 0.0 -1.387345793853e-05 1.576226638624e-05 5*0.0 3.155483870812e-06 -6.038546191925e-06 0.0 4.274708278349e-05 -3.395219626441e-05
|
||||
5*0.0 6.563091889908e-06 1.877731415621e-06 0.0 -1.407673135280e-05 1.558325144942e-05 5*0.0 4.232725405689e-06 -6.019571175969e-06 0.0 4.293442638086e-05 -3.338992511838e-05
|
||||
5*0.0 6.097314110132e-06 1.886383515911e-06 0.0 -1.427154047165e-05 1.539892054641e-05 5*0.0 5.291542326388e-06 -5.998592103273e-06 0.0 4.310316506078e-05 -3.282084559250e-05
|
||||
5*0.0 5.637100214094e-06 1.894102750248e-06 0.0 -1.445797585340e-05 1.520942655687e-05 5*0.0 6.331867058247e-06 -5.975656490819e-06 0.0 4.325354363165e-05 -3.224526882946e-05
|
||||
5*0.0 5.182416478007e-06 1.900905321913e-06 0.0 -1.463612684082e-05 1.501492086016e-05 5*0.0 7.353640081077e-06 -5.950811610383e-06 0.0 4.338580953041e-05 -3.166350307330e-05
|
||||
5*0.0 4.733234673153e-06 1.906807252594e-06 0.0 -1.480608173897e-05 1.481555343772e-05 5*0.0 8.356809873012e-06 -5.924104475386e-06 0.0 4.350021268701e-05 -3.107585360269e-05
|
||||
5*0.0 4.289531650768e-06 1.911824383879e-06 0.0 -1.496792793076e-05 1.461147284815e-05 5*0.0 9.341332845858e-06 -5.895581828003e-06 0.0 4.359700538840e-05 -3.048262266622e-05
|
||||
5*0.0 3.851288912330e-06 1.915972417660e-06 0.0 -1.512175207573e-05 1.440282639610e-05 5*0.0 1.030717327248e-05 -5.865290126560e-06 0.0 4.367644214235e-05 -2.988410941983e-05
|
||||
Spline
|
||||
48 4.3
|
||||
2.151029456234113 3.917667206325493 -0.4605879014976964
|
||||
1.2 1.24 3.344853 -8.185615473079642 8.803750000000022 1.68154567477936
|
||||
1.24 1.28 3.031622 -7.473244053840698 9.005535480973546 -8.40772837389725
|
||||
1.28 1.32 2.746563 -6.793158311557521 7.996608076105875 -5.144382179192052
|
||||
1.32 1.36 2.487302 -6.178122699929173 7.379282214602828 -5.467867909334685
|
||||
1.36 1.4 2.251634 -5.614025888725752 6.723138065482665 -4.85914618348724
|
||||
1.4 1.44 2.037519 -5.09949874516788 6.140040523464199 -4.548672356677829
|
||||
1.44 1.48 1.843072 -4.630129130602798 5.594199840662859 -4.164914389823186
|
||||
1.48 1.52 1.666551 -4.20258473242092 5.094410113884076 -3.838545084022094
|
||||
1.52 1.56 1.506353 -3.813456939713499 4.633784703801425 -3.512155274095782
|
||||
1.56 1.6 1.361004 -3.459612508725045 4.21232607090993 -3.237833819594657
|
||||
1.6 1.64 1.229152 -3.138168025386304 3.823786012558571 -2.927134447532612
|
||||
1.64 1.68 1.109556 -2.846315389729777 3.472529878854659 -2.709878390255709
|
||||
1.68 1.72 1.001086 -2.581520415694631 3.147344472023974 -2.420851991452283
|
||||
1.72 1.76 0.902706 -2.341352947491684 2.8568422330497 -2.24733864393958
|
||||
1.76 1.8 0.813479 -2.123592794338618 2.58716159577695 -1.996043432786452
|
||||
1.8 1.84 0.7325469999999999 -1.926200875153837 2.347636383842576 -1.830987624914636
|
||||
1.84 1.88 0.659138 -1.747178705046021 2.127917868852819 -1.648756067561767
|
||||
1.88 1.92 0.59255 -1.584859304662092 1.930067140745408 -1.480238104827165
|
||||
1.92 1.96 0.532149 -1.43755907630563 1.752438568166148 -1.336541513134214
|
||||
1.96 2 0.477365 -1.303779390115382 1.592053586590042 -1.204845842636129
|
||||
2 2.04 0.427684 -1.182198363232832 1.447472085473707 -1.078450116321874
|
||||
2.04 2.08 0.382643 -1.071577156953281 1.318058071515082 -0.9657286920763758
|
||||
2.08 2.12 0.341827 -0.9707680089540406 1.202170628465916 -0.8711351153715585
|
||||
2.12 2.16 0.304864 -0.8787758072305507 1.097634414621329 -0.7841058464386423
|
||||
2.16 2.2 0.271419 -0.7947287621237498 1.003541713048692 -0.6955664988737965
|
||||
2.2 2.24 0.241191 -0.7177841442744486 0.9200737331838365 -0.6367531580651817
|
||||
2.24 2.28 0.213911 -0.6472346607784545 0.8436633542160146 -0.5699208688698261
|
||||
2.28 2.32 0.189335 -0.5824772126117491 0.7752728499516361 -0.5210633664474564
|
||||
2.32 2.36 0.167243 -0.5229564887745659 0.7127452459779413 -0.4708256653444233
|
||||
2.36 2.4 0.147435 -0.4681968322899838 0.6562461661366105 -0.4393839721751239
|
||||
2.4 2.44 0.129729 -0.4178061820654956 0.6035200894755955 -0.3966384459550967
|
||||
2.44 2.48 0.113957 -0.3714284394480323 0.5559234759609839 -0.3803122440042574
|
||||
2.48 2.52 0.099965 -0.328780060142374 0.510286006680473 -0.3477375780277927
|
||||
2.52 2.56 0.08760800000000001 -0.2896263199824696 0.4685574973171378 -0.3381124438849245
|
||||
2.56 2.6 0.076751 -0.2537646599277462 0.4279840040509468 -0.3154376464321093
|
||||
2.6 2.64 0.06726500000000001 -0.2210400403065445 0.3901314864790937 -0.3063869703870516
|
||||
2.64 2.68 0.059028 -0.1913001788460748 0.3533650500326475 -0.3027644720192353
|
||||
2.68 2.72 0.051922 -0.1644842443091553 0.3170333133903392 -0.2794301415363953
|
||||
2.72 2.76 0.045832 -0.1404628439173029 0.2835016964059717 -0.2826399618357535
|
||||
2.76 2.8 0.040649 -0.119139380021637 0.2495849009856816 -0.2775100111188646
|
||||
2.8 2.84 0.036265 -0.100504635996153 0.2162836996514179 -0.2635699936897886
|
||||
2.84 2.88 0.032574 -0.08446707599375052 0.1846553004086432 -0.2463350141219338
|
||||
2.88 2.92 0.029475 -0.07087706002884434 0.1550950987140111 -0.2667149498225669
|
||||
2.92 2.96 0.026871 -0.05974968389087176 0.1230893047353031 -0.1711801865876628
|
||||
2.96 3 0.024667 -0.05072420440766829 0.1025476823447835 -0.4079393038268865
|
||||
3 3.04 0.022776 -0.04447849847845466 0.05359496588555709 0.4748124018952362
|
||||
3.04 3.4 0.021113 -0.03791180167851295 0.1105724541129855 -0.1242057066353364
|
||||
3.4 4.3 0.016 -0.006590813456982203 -0.02356970905317782 -0.09209220073124012 0.2061755069509315 -0.1001089592255145
|
||||
558
tests/DFTB/scc/ch.spl
Normal file
558
tests/DFTB/scc/ch.spl
Normal file
|
|
@ -0,0 +1,558 @@
|
|||
0.02, 500,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
8*0.0 3.274705831812e-01 -5.226513952750e-01 8*0.0 -2.661783622497e-01 8.711877894968e-01
|
||||
8*0.0 3.375070999674e-01 -5.302770144130e-01 8*0.0 -2.778100907900e-01 8.695981519351e-01
|
||||
8*0.0 3.469448880088e-01 -5.374827299109e-01 8*0.0 -2.892200930583e-01 8.678916540437e-01
|
||||
8*0.0 3.557947894418e-01 -5.442609102614e-01 8*0.0 -3.004024375037e-01 8.660659445742e-01
|
||||
8*0.0 3.640837995286e-01 -5.505986655796e-01 8*0.0 -3.113516139947e-01 8.641189287908e-01
|
||||
8*0.0 3.718333917768e-01 -5.564874307072e-01 8*0.0 -3.220625261410e-01 8.620487680407e-01
|
||||
8*0.0 3.790481563086e-01 -5.619298057507e-01 8*0.0 -3.325304831435e-01 8.598538779213e-01
|
||||
8*0.0 3.857298655632e-01 -5.669334757117e-01 8*0.0 -3.427511912502e-01 8.575329252464e-01
|
||||
8*0.0 3.918943001987e-01 -5.715019987419e-01 8*0.0 -3.527207448844e-01 8.550848239933e-01
|
||||
8*0.0 3.975705864873e-01 -5.756336273264e-01 8*0.0 -3.624356175027e-01 8.525087303880e-01
|
||||
8*0.0 4.027872157315e-01 -5.793275364170e-01 8*0.0 -3.718926522345e-01 8.498040372661e-01
|
||||
8*0.0 4.075607666228e-01 -5.825897946464e-01 8*0.0 -3.810890523455e-01 8.469703678328e-01
|
||||
8*0.0 4.118965084982e-01 -5.854337350768e-01 8*0.0 -3.900223715655e-01 8.440075689278e-01
|
||||
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|
||||
8*0.0 7.774116144260e-05 -2.163946384167e-05 8*0.0 -1.076888720444e-04 -2.026689025669e-05
|
||||
8*0.0 7.537372707518e-05 -1.999995400335e-05 8*0.0 -1.047296934202e-04 -2.232807047501e-05
|
||||
8*0.0 7.308264921413e-05 -1.840988510528e-05 8*0.0 -1.017969848251e-04 -2.434065902261e-05
|
||||
8*0.0 7.086651852164e-05 -1.686963492335e-05 8*0.0 -9.889025264102e-05 -2.630513702182e-05
|
||||
8*0.0 6.871762953131e-05 -1.537235818098e-05 8*0.0 -9.600906010835e-05 -2.822196914666e-05
|
||||
8*0.0 6.663775580457e-05 -1.392171934293e-05 8*0.0 -9.315302406167e-05 -3.009160497615e-05
|
||||
8*0.0 6.462215362085e-05 -1.251439686245e-05 8*0.0 -9.032181178655e-05 -3.191448028060e-05
|
||||
8*0.0 6.266827022346e-05 -1.114912803705e-05 8*0.0 -8.751513799430e-05 -3.369101824324e-05
|
||||
8*0.0 6.077378074849e-05 -9.824650030596e-06 8*0.0 -8.473276191138e-05 -3.542163061938e-05
|
||||
8*0.0 5.893609869480e-05 -8.539686558137e-06 8*0.0 -8.197448448041e-05 -3.710671883528e-05
|
||||
8*0.0 5.715284080917e-05 -7.293030876490e-06 8*0.0 -7.924014566949e-05 -3.874667502882e-05
|
||||
8*0.0 5.542172879342e-05 -6.083526889212e-06 8*0.0 -7.652962188706e-05 -4.034188303407e-05
|
||||
8*0.0 5.374057839050e-05 -4.910066620257e-06 8*0.0 -7.384282349902e-05 -4.189271931166e-05
|
||||
8*0.0 5.210729807718e-05 -3.771591591110e-06 8*0.0 -7.117969244545e-05 -4.339955382712e-05
|
||||
8*0.0 5.051993874565e-05 -2.667162026401e-06 8*0.0 -6.854019995393e-05 -4.486275087881e-05
|
||||
8*0.0 4.897899984098e-05 -1.599050688259e-06 8*0.0 -6.592434434670e-05 -4.628266987756e-05
|
||||
8*0.0 4.747504936748e-05 -5.561323345588e-07 8*0.0 -6.333214893889e-05 -4.765966607958e-05
|
||||
8*0.0 4.601390445833e-05 4.523039102057e-07 8*0.0 -6.076366002521e-05 -4.899409127462e-05
|
||||
8*0.0 4.459131835827e-05 1.430487540199e-06 8*0.0 -5.821894495240e-05 -5.028629443090e-05
|
||||
8*0.0 4.321759788807e-05 2.370030085757e-06 8*0.0 -5.569809027487e-05 -5.153662229859e-05
|
||||
8*0.0 4.186079576017e-05 3.302588999502e-06 8*0.0 -5.320119999111e-05 -5.274541997342e-05
|
||||
8*0.0 4.054131583513e-05 4.190780709655e-06 8*0.0 -5.072839385827e-05 -5.391303142193e-05
|
||||
8*0.0 3.924391140329e-05 5.056470101286e-06 8*0.0 -4.827980578264e-05 -5.503979996996e-05
|
||||
8*0.0 3.800522454897e-05 5.893934858274e-06 8*0.0 -4.585558228356e-05 -5.612606875591e-05
|
||||
8*0.0 3.678290218835e-05 6.706573617881e-06 8*0.0 -4.345588102858e-05 -5.717218114997e-05
|
||||
8*0.0 3.559172516330e-05 7.488743099904e-06 8*0.0 -4.108086943754e-05 -5.817848114109e-05
|
||||
8*0.0 3.442357223941e-05 8.256966032589e-06 8*0.0 -3.873072335337e-05 -5.914531369265e-05
|
||||
8*0.0 3.328473749493e-05 8.995925596259e-06 8*0.0 -3.640562577755e-05 -6.007302506847e-05
|
||||
8*0.0 3.217081127388e-05 9.710408420149e-06 8*0.0 -3.410576566807e-05 -6.096196313023e-05
|
||||
8*0.0 3.108139531232e-05 1.040290521585e-05 8*0.0 -3.183133679781e-05 -6.181247760770e-05
|
||||
8*0.0 3.001580821091e-05 1.107269182571e-05 8*0.0 -2.958253667150e-05 -6.262492034277e-05
|
||||
8*0.0 2.897630393749e-05 1.171797483344e-05 8*0.0 -2.735956549910e-05 -6.339964550874e-05
|
||||
8*0.0 2.795051460443e-05 1.234680566416e-05 8*0.0 -2.516262522388e-05 -6.413700980567e-05
|
||||
8*0.0 2.694902087323e-05 1.295422548315e-05 8*0.0 -2.299191860326e-05 -6.483737263319e-05
|
||||
8*0.0 2.596774486611e-05 1.353984366172e-05 8*0.0 -2.084764834056e-05 -6.550109624160e-05
|
||||
8*0.0 2.500631028742e-05 1.410519811927e-05 8*0.0 -1.873001626607e-05 -6.612854586246e-05
|
||||
8*0.0 2.406329002955e-05 1.465101824233e-05 8*0.0 -1.663922256552e-05 -6.672008981948e-05
|
||||
8*0.0 2.313535011855e-05 1.517967638597e-05 8*0.0 -1.457546505433e-05 -6.727609962093e-05
|
||||
8*0.0 2.223051192792e-05 1.568526474823e-05 8*0.0 -1.253893849615e-05 -6.779695003419e-05
|
||||
8*0.0 2.133912559124e-05 1.617472308785e-05 8*0.0 -1.052983396388e-05 -6.828301914364e-05
|
||||
8*0.0 2.046409288412e-05 1.664589181831e-05 8*0.0 -8.548338241792e-06 -6.873468839252e-05
|
||||
8*0.0 1.960465534001e-05 1.709927429908e-05 8*0.0 -6.594633267116e-06 -6.915234260981e-05
|
||||
8*0.0 1.876072968294e-05 1.753248149699e-05 8*0.0 -4.668895609772e-06 -6.953637002277e-05
|
||||
8*0.0 1.792850566579e-05 1.795482004231e-05 8*0.0 -2.771295988640e-06 -6.988716225601e-05
|
||||
8*0.0 1.711486887701e-05 1.835594900476e-05 8*0.0 -9.019988231208e-07 -7.020511431790e-05
|
||||
8*0.0 1.631322029979e-05 1.874127464016e-05 8*0.0 9.388381814396e-07 -7.049062457489e-05
|
||||
8*0.0 1.552472401159e-05 1.911046625227e-05 8*0.0 2.751064415763e-06 -7.074409471466e-05
|
||||
8*0.0 1.474919116390e-05 1.946366822472e-05 8*0.0 4.534536717375e-06 -7.096592969863e-05
|
||||
8*0.0 1.398619464651e-05 1.980118643198e-05 8*0.0 6.289119691279e-06 -7.115653770450e-05
|
||||
8*0.0 1.323447829207e-05 2.012349788189e-05 8*0.0 8.014686001845e-06 -7.131633005955e-05
|
||||
8*0.0 1.249675808683e-05 2.043043734661e-05 8*0.0 9.711116637012e-06 -7.144572116522e-05
|
||||
8*0.0 1.176993433938e-05 2.072210657137e-05 8*0.0 1.137830114601e-05 -7.154512841359e-05
|
||||
8*0.0 1.105404190687e-05 2.099948577302e-05 8*0.0 1.301613785167e-05 -7.161497209632e-05
|
||||
8*0.0 1.036248760548e-05 2.124896569327e-05 8*0.0 1.462453403845e-05 -7.165567530663e-05
|
||||
8*0.0 9.656177748064e-06 2.151115466821e-05 8*0.0 1.620340611712e-05 -7.166766383478e-05
|
||||
8*0.0 8.973796605398e-06 2.174478448228e-05 8*0.0 1.775267976730e-05 -7.165136605764e-05
|
||||
8*0.0 8.302178352260e-06 2.196032996830e-05 8*0.0 1.927229005865e-05 -7.160721282271e-05
|
||||
8*0.0 7.639195353981e-06 2.217356770696e-05 8*0.0 2.076218155176e-05 -7.153563732723e-05
|
||||
8*0.0 6.987325501043e-06 2.236720726491e-05 8*0.0 2.222230837971e-05 -7.143707499264e-05
|
||||
8*0.0 6.345670870792e-06 2.254782629413e-05 8*0.0 2.365263431107e-05 -7.131196333496e-05
|
||||
8*0.0 5.713293948420e-06 2.271582980307e-05 8*0.0 2.505313279538e-05 -7.116074183144e-05
|
||||
8*0.0 5.090580773073e-06 2.287063642130e-05 8*0.0 2.642378699177e-05 -7.098385178387e-05
|
||||
8*0.0 4.477500313390e-06 2.301312998257e-05 8*0.0 2.776458978171e-05 -7.078173617895e-05
|
||||
8*0.0 3.874246647903e-06 2.314297927451e-05 8*0.0 2.907554376660e-05 -7.055483954607e-05
|
||||
8*0.0 3.291292237122e-06 2.325458816256e-05 8*0.0 3.035666125088e-05 -7.030360781284e-05
|
||||
8*0.0 2.694756157483e-06 2.336671607922e-05 8*0.0 3.160796421165e-05 -7.002848815873e-05
|
||||
8*0.0 2.118082167715e-06 2.346108252866e-05 8*0.0 3.282948425524e-05 -6.972992886708e-05
|
||||
8*0.0 1.550906342692e-06 2.354356909073e-05 8*0.0 3.402126256160e-05 -6.940837917583e-05
|
||||
8*0.0 9.929927983809e-07 2.361479592461e-05 8*0.0 3.518334981717e-05 -6.906428912728e-05
|
||||
8*0.0 4.475746823629e-07 2.367760478497e-05 8*0.0 3.631580613674e-05 -6.869810941702e-05
|
||||
8*0.0 -9.716986471630e-08 2.372303725720e-05 8*0.0 3.741870097517e-05 -6.831029124248e-05
|
||||
8*0.0 -6.293789113248e-07 2.376045594479e-05 8*0.0 3.849211302931e-05 -6.790128615124e-05
|
||||
8*0.0 -1.152705490967e-06 2.378729732949e-05 8*0.0 3.953613013093e-05 -6.747154588925e-05
|
||||
8*0.0 -1.667414053334e-06 2.380354996458e-05 8*0.0 4.055084913109e-05 -6.702152224947e-05
|
||||
8*0.0 -2.173554805020e-06 2.380934611958e-05 8*0.0 4.153637577651e-05 -6.655166692073e-05
|
||||
8*0.0 -2.671071922711e-06 2.380471568889e-05 8*0.0 4.249282457857e-05 -6.606243133747e-05
|
||||
8*0.0 -3.161089855550e-06 2.379122327940e-05 8*0.0 4.342031867529e-05 -6.555426653010e-05
|
||||
8*0.0 -3.641100287387e-06 2.376568021856e-05 8*0.0 4.431898968691e-05 -6.502762297657e-05
|
||||
8*0.0 -4.111739606907e-06 2.373049543481e-05 8*0.0 4.518897756549e-05 -6.448295045494e-05
|
||||
8*0.0 -4.573865523158e-06 2.368552580488e-05 8*0.0 4.603043043895e-05 -6.392069789751e-05
|
||||
8*0.0 -5.033260667921e-06 2.363441471656e-05 8*0.0 4.684350445007e-05 -6.334131324623e-05
|
||||
8*0.0 -5.479489314514e-06 2.357260726250e-05 8*0.0 4.762836359080e-05 -6.274524330991e-05
|
||||
8*0.0 -5.919614889674e-06 2.349984699527e-05 8*0.0 4.838517953230e-05 -6.213293362315e-05
|
||||
8*0.0 -6.350498652197e-06 2.342008711311e-05 8*0.0 4.911413145113e-05 -6.150482830712e-05
|
||||
8*0.0 -6.776884006639e-06 2.333120972888e-05 8*0.0 4.981540585194e-05 -6.086136993245e-05
|
||||
8*0.0 -7.187335601791e-06 2.323137150081e-05 8*0.0 5.048919638699e-05 -6.020299938417e-05
|
||||
8*0.0 -7.593432113377e-06 2.312461071699e-05 8*0.0 5.113570367292e-05 -5.953015572887e-05
|
||||
8*0.0 -7.991412560826e-06 2.300952186361e-05 8*0.0 5.175513510501e-05 -5.884327608425e-05
|
||||
8*0.0 -8.381180243989e-06 2.288622366000e-05 8*0.0 5.234770466936e-05 -5.814279549095e-05
|
||||
8*0.0 -8.762816920584e-06 2.275492190728e-05 8*0.0 5.291363275313e-05 -5.742914678702e-05
|
||||
8*0.0 -9.136679046813e-06 2.261617880254e-05 8*0.0 5.345314595331e-05 -5.670276048480e-05
|
||||
Spline
|
||||
34 3.5
|
||||
2.198518512629381 2.147421636649093 -0.1560071349326178
|
||||
1.2 1.24 0.456129 -1.345792624898757 1.479375000000003 0.2453905617232704
|
||||
1.24 1.28 0.40468 -1.226264750202485 1.508821867406795 -1.226952808616302
|
||||
1.28 1.32 0.357965 -1.1114483742913 1.361587530372839 -0.7750793272574601
|
||||
1.32 1.36 0.315636 -1.006241752632308 1.268578011101944 -0.8446048823560177
|
||||
1.36 1.4 0.277362 -0.9088096151794613 1.167225425219221 -0.7527511433197074
|
||||
1.4 1.44 0.242829 -0.8190447866498586 1.076895288020857 -0.7381405443593912
|
||||
1.44 1.48 0.211743 -0.7364362382211151 0.9883184226977298 -0.6696866792459264
|
||||
1.48 1.52 0.183824 -0.6605852604656771 0.9079560211882186 -0.6456127386565936
|
||||
1.52 1.56 0.158812 -0.5910477199161712 0.8304824925494273 -0.6072373661285504
|
||||
1.56 1.6 0.13646 -0.527523859869634 0.7576140086140012 -0.5504377968284878
|
||||
1.6 1.64 0.116536 -0.4695568406052906 0.6915614729945826 -0.5347614465590119
|
||||
1.64 1.68 0.09882600000000001 -0.4167987777092075 0.6273900994075015 -0.4823914169327255
|
||||
1.68 1.72 0.08312700000000001 -0.3689230485578844 0.5695031293755743 -0.4575478857114137
|
||||
1.72 1.76 0.06925200000000001 -0.3255590280592532 0.5145973830902046 -0.4217920402218352
|
||||
1.76 1.8 0.057026 -0.2864158392051016 0.4639823382635844 -0.3865339534009611
|
||||
1.8 1.84 0.046287 -0.2511526151203394 0.417598263855469 -0.3601971461744589
|
||||
1.84 1.88 0.036886 -0.2194737003135393 0.3743746063145339 -0.3289274619018495
|
||||
1.88 1.92 0.028685 -0.1911025836255056 0.3349033108863121 -0.3084680062167705
|
||||
1.92 1.96 0.021557 -0.1657909651844411 0.2978871501402997 -0.2653255132317116
|
||||
1.96 2 0.015385 -0.1432335556367293 0.2660480885524942 -0.2552299408564956
|
||||
2 2.04 0.010065 -0.1231748122686409 0.2354204956497147 -0.2293797233421972
|
||||
2.04 2.08 0.005500000000000001 -0.1054421952887063 0.207894928848651 -0.2022511657748048
|
||||
2.08 2.12 0.001602000000000001 -0.08978140657653326 0.1836247889556744 -0.1803656135585422
|
||||
2.12 2.16 -0.001706999999999999 -0.07595717840516029 0.1619809153286494 -0.1700363799910177
|
||||
2.16 2.2 -0.004496999999999999 -0.06381487980282521 0.1415765497297272 -0.139488866477396
|
||||
2.2 2.24 -0.006832 -0.05315830238353853 0.1248378857524397 -0.1313831540993758
|
||||
2.24 2.28 -0.008766999999999999 -0.04380191066302035 0.1090719072605146 -0.1162285171253928
|
||||
2.28 2.32 -0.010352 -0.03563405496438115 0.09512448520546758 -0.09120277739843705
|
||||
2.32 2.36 -0.011631 -0.02846186947945623 0.08418015191765513 -0.0970853732812284
|
||||
2.36 2.4 -0.012641 -0.02219346711779371 0.07252990712390771 -0.05170572947660723
|
||||
2.4 2.44 -0.013416 -0.01663926204936881 0.06632521958671483 -0.14921670881236
|
||||
2.44 2.48 -0.013985 -0.01204948468473095 0.04841921452923162 0.2891975647260674
|
||||
2.48 2.84 -0.014371 -0.006787799211707284 0.08312292229635974 -0.08483631287280521
|
||||
2.84 3.5 -0.01 0.02007634639672507 -0.008500295606269857 0.1099349367199619 -0.2904128801769102 0.1912556086105955
|
||||
571
tests/DFTB/scc/cn.spl
Normal file
571
tests/DFTB/scc/cn.spl
Normal file
|
|
@ -0,0 +1,571 @@
|
|||
0.02, 500
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
5*0.0 -1.130944184279e+00 -1.596638365331e+00 0.0 -5.279843777716e-01 -1.296155695663e+00 5*0.0 8.037803176556e-01 9.231179796952e-01 0.0 -8.257743782173e-02 8.937639250956e-01
|
||||
5*0.0 -1.075682036947e+00 -1.572995680259e+00 0.0 -5.098156473797e-01 -1.244012396718e+00 5*0.0 7.869563180700e-01 9.170366925291e-01 0.0 -8.916352550520e-02 8.877818099839e-01
|
||||
5*0.0 -1.020568611828e+00 -1.548993543017e+00 0.0 -4.894044687240e-01 -1.196434392632e+00 5*0.0 7.696381655618e-01 9.107321597265e-01 0.0 -9.595500790150e-02 8.818126220445e-01
|
||||
5*0.0 -9.657716412084e-01 -1.524689108049e+00 0.0 -4.670307607431e-01 -1.153178966094e+00 5*0.0 7.518605984731e-01 9.042127712477e-01 0.0 -1.029385729822e-01 8.758664718697e-01
|
||||
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5*0.0 1.530939514370e-01 -4.050756259055e-02 0.0 1.325893999686e-01 -1.186429170107e-01 5*0.0 -1.700624115047e-01 3.919978377044e-02 0.0 -1.221208829370e-01 8.968969919993e-02
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5*0.0 1.504537791988e-01 -3.939919552357e-02 0.0 1.298364729171e-01 -1.157569712631e-01 5*0.0 -1.667998916553e-01 3.800651686834e-02 0.0 -1.193332639371e-01 8.732907292012e-02
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5*0.0 1.478425371341e-01 -3.831859140386e-02 0.0 1.271265132445e-01 -1.129295620395e-01 5*0.0 -1.635677866084e-01 3.684544382880e-02 0.0 -1.165902734838e-01 8.501892079319e-02
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5*0.0 1.452602889694e-01 -3.726511056577e-02 0.0 1.244592487914e-01 -1.101598542821e-01 5*0.0 -1.603670229279e-01 3.571584042103e-02 0.0 -1.138918575462e-01 8.275856087403e-02
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5*0.0 1.427070873317e-01 -3.623812749608e-02 0.0 1.218343956396e-01 -1.074470134628e-01 5*0.0 -1.571984685826e-01 3.461699371246e-02 0.0 -1.112379335451e-01 8.054730637744e-02
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5*0.0 1.401829739926e-01 -3.523703049522e-02 0.0 1.192516586926e-01 -1.047902060603e-01 5*0.0 -1.540629344907e-01 3.354820207622e-02 0.0 -1.086283915076e-01 7.838446633827e-02
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5*0.0 1.279994675602e-01 -3.059935341594e-02 0.0 1.069586780029e-01 -9.231762463373e-02 5*0.0 -1.389051496248e-01 2.863130356551e-02 0.0 -9.624078547789e-02 6.827208543132e-02
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5*0.0 1.256501873262e-01 -2.974146052043e-02 0.0 1.046218867794e-01 -8.997962666182e-02 5*0.0 -1.359817643192e-01 2.772874010639e-02 0.0 -9.389383220350e-02 6.638506573240e-02
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5*0.0 1.233300068054e-01 -2.890553218051e-02 0.0 1.023248804142e-01 -8.769189269338e-02 5*0.0 -1.330956064134e-01 2.685163575252e-02 0.0 -9.158981683638e-02 6.454155779742e-02
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5*0.0 1.187767962077e-01 -2.729753141210e-02 0.0 9.784875784620e-02 -8.326398121517e-02 5*0.0 -1.274365656565e-01 2.517136778807e-02 0.0 -8.710942196283e-02 6.098226560437e-02
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5*0.0 1.165436711984e-01 -2.652446780715e-02 0.0 9.566889406315e-02 -8.112219781270e-02 5*0.0 -1.246643717050e-01 2.436701337159e-02 0.0 -8.493240965582e-02 5.926507810160e-02
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5*0.0 1.143394565498e-01 -2.577138590616e-02 0.0 9.352732090218e-02 -7.902746724647e-02 5*0.0 -1.219307857877e-01 2.358573631310e-02 0.0 -8.279707152098e-02 5.758859677374e-02
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5*0.0 1.121640853427e-01 -2.503781671154e-02 0.0 9.142365124575e-02 -7.697899981211e-02 5*0.0 -1.192360511731e-01 2.282696837594e-02 0.0 -8.070305144764e-02 5.595212455465e-02
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5*0.0 1.100174832939e-01 -2.432330143577e-02 0.0 8.935749341055e-02 -7.497601159427e-02 5*0.0 -1.165803731439e-01 2.209015205006e-02 0.0 -7.864997904236e-02 5.435496694659e-02
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5*0.0 1.078995689673e-01 -2.362739127424e-02 0.0 8.732845154194e-02 -7.301772471231e-02 5*0.0 -1.139639203471e-01 2.137474046703e-02 0.0 -7.663747048383e-02 5.279643240681e-02
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5*0.0 1.058102539715e-01 -2.294964718388e-02 0.0 8.533612598894e-02 -7.110336754834e-02 5*0.0 -1.113868261244e-01 2.068019731070e-02 0.0 -7.466512935538e-02 5.127583271662e-02
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5*0.0 1.037494431448e-01 -2.228963966759e-02 0.0 8.338011365995e-02 -6.923217495889e-02 5*0.0 -1.088491898210e-01 2.000599672381e-02 0.0 -7.273254745531e-02 4.979248333341e-02
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5*0.0 1.017170347278e-01 -2.164694856417e-02 0.0 8.146000836006e-02 -6.740338847029e-02 5*0.0 -1.063510780723e-01 1.935162321088e-02 0.0 -7.083930558490e-02 4.834570372584e-02
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5*0.0 9.971292052522e-02 -2.102116284377e-02 0.0 7.957540111075e-02 -6.561625645925e-02 5*0.0 -1.038925260695e-01 1.871657153753e-02 0.0 -6.898497431435e-02 4.693481769266e-02
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5*0.0 9.773698605783e-02 -2.041188040870e-02 0.0 7.772588045322e-02 -6.387003431895e-02 5*0.0 -1.014735388013e-01 1.810034662648e-02 0.0 -6.716911472679e-02 4.555915366547e-02
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5*0.0 9.578911070561e-02 -1.981870789945e-02 0.0 7.591103273635e-02 -6.216398461200e-02 5*0.0 -9.909409227346e-02 1.750246345050e-02 0.0 -6.539127914033e-02 4.421804499570e-02
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5*0.0 9.386916784398e-02 -1.924126050585e-02 0.0 7.413044239072e-02 -6.049737721081e-02 5*0.0 -9.675413470462e-02 1.692244692255e-02 0.0 -6.365101180857e-02 4.291083022640e-02
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5*0.0 9.197702497429e-02 -1.867916178319e-02 0.0 7.238369218985e-02 -5.886948942647e-02 5*0.0 -9.445358769867e-02 1.635983178326e-02 0.0 -6.194784959947e-02 4.163685334890e-02
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5*0.0 9.011254384989e-02 -1.813204347336e-02 0.0 7.067036350000e-02 -5.727960612679e-02 5*0.0 -9.219234739324e-02 1.581416248600e-02 0.0 -6.028132265312e-02 4.039546404493e-02
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5*0.0 8.827558059916e-02 -1.759954533046e-02 0.0 6.899003651941e-02 -5.572701984428e-02 5*0.0 -8.997028558403e-02 1.528499307974e-02 0.0 -5.865095501825e-02 3.918601791453e-02
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5*0.0 8.646598584674e-02 -1.708131495139e-02 0.0 6.734229050859e-02 -5.421103087489e-02 5*0.0 -8.778725082505e-02 1.477188708992e-02 0.0 -5.705626526809e-02 3.800787669004e-02
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5*0.0 8.468360483398e-02 -1.657700761045e-02 0.0 6.572670401183e-02 -5.273094736779e-02 5*0.0 -8.564306950438e-02 1.427441739744e-02 0.0 -5.549676709552e-02 3.686040843658e-02
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5*0.0 8.292827753957e-02 -1.608628609860e-02 0.0 6.414285507157e-02 -5.128608540696e-02 5*0.0 -8.353754689557e-02 1.379216611603e-02 0.0 -5.397196988802e-02 3.574298773942e-02
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5*0.0 8.119983880112e-02 -1.560882056655e-02 0.0 6.259032143559e-02 -4.987576908501e-02 5*0.0 -8.147046818452e-02 1.332472446816e-02 0.0 -5.248137928250e-02 3.465499587862e-02
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5*0.0 7.949811843842e-02 -1.514428837202e-02 0.0 6.106868075817e-02 -4.849933056952e-02 5*0.0 -7.944159947180e-02 1.287169265966e-02 0.0 -5.102449770047e-02 3.359582099116e-02
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5*0.0 7.782294137872e-02 -1.469237393056e-02 0.0 5.957751079526e-02 -4.715611016225e-02 5*0.0 -7.745068875048e-02 1.243267975309e-02 0.0 -4.960082486373e-02 3.256485822112e-02
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5*0.0 7.617412778464e-02 -1.425276857024e-02 0.0 5.811638959431e-02 -4.584545635162e-02 5*0.0 -7.549746685948e-02 1.200730354031e-02 0.0 -4.820985829093e-02 3.156150985816e-02
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5*0.0 7.455149318467e-02 -1.382517038959e-02 0.0 5.668489567878e-02 -4.456672585866e-02 5*0.0 -7.358164841250e-02 1.159519041400e-02 0.0 -4.685109377533e-02 3.058518546467e-02
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5*0.0 7.295484860665e-02 -1.340928411903e-02 0.0 5.528260822780e-02 -4.331928367648e-02 5*0.0 -7.170293270262e-02 1.119597523867e-02 0.0 -4.552402584409e-02 2.963530199196e-02
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5*0.0 7.138400071406e-02 -1.300482098536e-02 0.0 5.390910725081e-02 -4.210250310382e-02 5*0.0 -6.986100458264e-02 1.080930122101e-02 0.0 -4.422814819942e-02 2.871128388583e-02
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5*0.0 6.983875194521e-02 -1.261149857939e-02 0.0 5.256397375749e-02 -4.091576577265e-02 5*0.0 -6.805553532145e-02 1.043481977981e-02 0.0 -4.296295414186e-02 2.781256318187e-02
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5*0.0 6.831890065508e-02 -1.222904072647e-02 0.0 5.124678992297e-02 -3.975846166993e-02 5*0.0 -6.628618343638e-02 1.007219041567e-02 0.0 -4.172793697621e-02 2.693857959091e-02
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5*0.0 6.682424125977e-02 -1.185717735989e-02 0.0 4.995713924833e-02 -3.862998915398e-02 5*0.0 -6.455259550193e-02 9.721080580402e-03 0.0 -4.052259040024e-02 2.608878057473e-02
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5*0.0 6.535456438308e-02 -1.149564439697e-02 0.0 4.869460671632e-02 -3.752975496554e-02 5*0.0 -6.285440693483e-02 9.381165546502e-03 0.0 -3.934640887669e-02 2.526262141272e-02
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5*0.0 6.390965700527e-02 -1.114418361785e-02 0.0 4.745877894246e-02 -3.645717423343e-02 5*0.0 -6.119124275595e-02 9.052128276560e-03 0.0 -3.819888798889e-02 2.445956525947e-02
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5*0.0 6.248930261334e-02 -1.080254254678e-02 0.0 4.624924432136e-02 -3.541167047554e-02 5*0.0 -5.956271832903e-02 8.733659292886e-03 0.0 -3.707952478033e-02 2.367908319384e-02
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5*0.0 6.109328135273e-02 -1.047047433603e-02 0.0 4.506559316829e-02 -3.439267559485e-02 5*0.0 -5.796844007666e-02 8.425456547362e-03 0.0 -3.598781807853e-02 2.292065425975e-02
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5*0.0 5.972137018006e-02 -1.014773765206e-02 0.0 4.390741785593e-02 -3.339962987088e-02 5*0.0 -5.640800617370e-02 8.127225291645e-03 0.0 -3.492326880360e-02 2.218376549900e-02
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5*0.0 5.837334301640e-02 -9.834096564186e-03 0.0 4.277431294642e-02 -3.243198194667e-02 5*0.0 -5.488100721838e-02 7.838677947807e-03 0.0 -3.388538026192e-02 2.146791197646e-02
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5*0.0 5.704897090097e-02 -9.529320435494e-03 0.0 4.166587531851e-02 -3.148918881167e-02 5*0.0 -5.338702688157e-02 7.559533979500e-03 0.0 -3.287365842514e-02 2.077259679789e-02
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5*0.0 5.574802214467e-02 -9.233183816027e-03 0.0 4.058170428992e-02 -3.057071578032e-02 5*0.0 -5.192564253425e-02 7.289519763718e-03 0.0 -3.188761219504e-02 2.009733112075e-02
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5*0.0 5.447026248334e-02 -8.945466338145e-03 0.0 3.952140173486e-02 -2.967603646681e-02 5*0.0 -5.049642585375e-02 7.028368463251e-03 0.0 -3.092675365448e-02 1.944163415824e-02
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5*0.0 5.321545523020e-02 -8.665952614036e-03 0.0 3.848457219675e-02 -2.880463275620e-02 5*0.0 -4.909894340892e-02 6.775819899878e-03 0.0 -2.999059830493e-02 1.880503317683e-02
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5*0.0 5.198336142737e-02 -8.394432135307e-03 0.0 3.747082299603e-02 -2.795599477167e-02 5*0.0 -4.773275722463e-02 6.531620428403e-03 0.0 -2.907866529082e-02 1.818706348770e-02
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5*0.0 5.077373999612e-02 -8.130699174623e-03 0.0 3.647976433338e-02 -2.712962083858e-02 5*0.0 -4.639742532604e-02 6.295522811555e-03 0.0 -2.819047761110e-02 1.758726843213e-02
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5*0.0 4.958634788556e-02 -7.874552689350e-03 0.0 3.551100938791e-02 -2.632501744501e-02 5*0.0 -4.509250226273e-02 6.067286095858e-03 0.0 -2.732556231849e-02 1.700519936138e-02
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5*0.0 4.842094021963e-02 -7.625796227072e-03 0.0 3.456417441082e-02 -2.554169919921e-02 5*0.0 -4.381753961340e-02 5.846675488494e-03 0.0 -2.648345070658e-02 1.644041561109e-02
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5*0.0 4.727727044218e-02 -7.384237833056e-03 0.0 3.363887881425e-02 -2.477918878397e-02 5*0.0 -4.257208647118e-02 5.633462235235e-03 0.0 -2.566367848525e-02 1.589248447059e-02
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5*0.0 4.615509045991e-02 -7.149689959520e-03 0.0 3.273474525560e-02 -2.403701690805e-02 5*0.0 -4.135568991018e-02 5.427423499473e-03 0.0 -2.486578594481e-02 1.536098114729e-02
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5*0.0 4.505415078315e-02 -6.921969376675e-03 0.0 3.185139971721e-02 -2.331472225482e-02 5*0.0 -4.016789543345e-02 5.228342242426e-03 0.0 -2.408931810899e-02 1.484548872652e-02
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5*0.0 4.291498823363e-02 -6.486298232481e-03 0.0 3.014559370201e-02 -2.192795889585e-02 5*0.0 -3.787628945131e-02 4.850212288064e-03 0.0 -2.259886115770e-02 1.386090805124e-02
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5*0.0 3.985924433170e-02 -5.879654193781e-03 0.0 2.773364356390e-02 -1.998581244422e-02 5*0.0 -3.464198963575e-02 4.330092789591e-03 0.0 -2.051277376118e-02 1.249414363267e-02
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5*0.0 3.605982433151e-02 -5.151507303207e-03 0.0 2.477677307071e-02 -1.763630177930e-02 5*0.0 -3.068959274184e-02 3.716605543334e-03 0.0 -1.799265740330e-02 1.086159196533e-02
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5*0.0 3.515735434015e-02 -4.982871698303e-03 0.0 2.408151648935e-02 -1.708911958018e-02 5*0.0 -2.976276133720e-02 3.576354318064e-03 0.0 -1.740654337709e-02 1.048497449372e-02
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5*0.0 3.427332590415e-02 -4.819309056154e-03 0.0 2.340317164773e-02 -1.655724929060e-02 5*0.0 -2.885953961790e-02 3.441022812353e-03 0.0 -1.683719549105e-02 1.012028633563e-02
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5*0.0 3.340748285280e-02 -4.660681613559e-03 0.0 2.274140909707e-02 -1.604032041855e-02 5*0.0 -2.797948296672e-02 3.310454688839e-03 0.0 -1.628422395688e-02 9.767200589511e-03
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5*0.0 3.255956922035e-02 -4.506854911468e-03 0.0 2.209590337423e-02 -1.553796957587e-02 5*0.0 -2.712214951030e-02 3.184497971850e-03 0.0 -1.574724485741e-02 9.425397385953e-03
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5*0.0 3.172932935121e-02 -4.357697726681e-03 0.0 2.146633302731e-02 -1.504984039973e-02 5*0.0 -2.628710034839e-02 3.063004947128e-03 0.0 -1.522588017930e-02 9.094563804585e-03
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5*0.0 3.091650800265e-02 -4.213082004713e-03 0.0 2.085238063812e-02 -1.457558347282e-02 5*0.0 -2.547389977039e-02 2.945832063088e-03 0.0 -1.471975783941e-02 8.774393789261e-03
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5*0.0 3.012085044502e-02 -4.072882793873e-03 0.0 2.025373284179e-02 -1.411485624258e-02 5*0.0 -2.468211545942e-02 2.832839833616e-03 0.0 -1.422851170502e-02 8.464588061673e-03
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5*0.0 2.934210255939e-02 -3.936978180558e-03 0.0 1.967008034349e-02 -1.366732293964e-02 5*0.0 -2.391131868443e-02 2.723892742412e-03 0.0 -1.375178160820e-02 8.164854033529e-03
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5*0.0 2.858001093273e-02 -3.805249225663e-03 0.0 1.910111793231e-02 -1.323265449523e-02 5*0.0 -2.316108448061e-02 2.618859148885e-03 0.0 -1.328921335454e-02 7.874905717446e-03
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5*0.0 2.783432295067e-02 -3.677579902150e-03 0.0 1.854654449269e-02 -1.281052845800e-02 5*0.0 -2.243099181842e-02 2.517611195608e-03 0.0 -1.284045872654e-02 7.594463636685e-03
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5*0.0 2.710478688764e-02 -3.553857033721e-03 0.0 1.800606301305e-02 -1.240062891007e-02 5*0.0 -2.172062376176e-02 2.420024717314e-03 0.0 -1.240517548183e-02 7.323254733851e-03
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5*0.0 2.639115199460e-02 -3.433970234612e-03 0.0 1.747938059216e-02 -1.200264638277e-02 5*0.0 -2.102956761544e-02 2.325979151460e-03 0.0 -1.198302734656e-02 7.061012278694e-03
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5*0.0 2.569316858429e-02 -3.317811850432e-03 0.0 1.696620844296e-02 -1.161627777152e-02 5*0.0 -2.035741506241e-02 2.235357450333e-03 0.0 -1.157368400408e-02 6.807475775120e-03
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5*0.0 2.501058811396e-02 -3.205276900106e-03 0.0 1.646626189426e-02 -1.124122625063e-02 5*0.0 -1.970376229104e-02 2.148045994713e-03 0.0 -1.117682107916e-02 6.562390867529e-03
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5*0.0 2.434316326563e-02 -3.096263018805e-03 0.0 1.597926039000e-02 -1.087720118762e-02 5*0.0 -1.906821011278e-02 2.063934509078e-03 0.0 -1.079212011805e-02 6.325509246589e-03
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5*0.0 2.369064802389e-02 -2.990670401969e-03 0.0 1.550492748663e-02 -1.052391805728e-02 5*0.0 -1.845036407056e-02 1.982915978345e-03 0.0 -1.041926856447e-02 6.096588554554e-03
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5*0.0 2.305279775114e-02 -2.888401750256e-03 0.0 1.504299084818e-02 -1.018109835550e-02 5*0.0 -1.784983453822e-02 1.904886566154e-03 0.0 -1.005795973180e-02 5.875392290218e-03
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5*0.0 2.242936926046e-02 -2.789362215579e-03 0.0 1.459318223949e-02 -9.848469513062e-03 5*0.0 -1.726623681130e-02 1.829745534667e-03 0.0 -9.707892771705e-03 5.661689713610e-03
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5*0.0 2.182012088586e-02 -2.693459348013e-03 0.0 1.415523751750e-02 -9.525764809224e-03 5*0.0 -1.669919118950e-02 1.757395165896e-03 0.0 -9.368772639284e-03 5.455255750525e-03
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5*0.0 2.122481255018e-02 -2.600603043764e-03 0.0 1.372889662057e-02 -9.212723285409e-03 5*0.0 -1.614832305107e-02 1.687740684531e-03 0.0 -9.040310055032e-03 5.255870896962e-03
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5*0.0 2.064320583044e-02 -2.510705494001e-03 0.0 1.331390355617e-02 -8.909089658748e-03 5*0.0 -1.561326291951e-02 1.620690182264e-03 0.0 -8.722221463748e-03 5.063321123569e-03
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5*0.0 2.007506402072e-02 -2.423681134660e-03 0.0 1.291000638670e-02 -8.614614235920e-03 5*0.0 -1.509364652286e-02 1.556154543613e-03 0.0 -8.414228990573e-03 4.877397780175e-03
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5*0.0 1.952015219265e-02 -2.339446597118e-03 0.0 1.251695721369e-02 -8.329052826849e-03 5*0.0 -1.458911484573e-02 1.494047373206e-03 0.0 -8.116060394336e-03 4.697897500470e-03
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5*0.0 1.897823725334e-02 -2.257920659843e-03 0.0 1.213451216040e-02 -8.052166658882e-03 5*0.0 -1.409931417455e-02 1.434284924539e-03 0.0 -7.827449018377e-03 4.524622106928e-03
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5*0.0 1.844908800095e-02 -2.179024200831e-03 0.0 1.176243135281e-02 -7.783722290923e-03 5*0.0 -1.362389613622e-02 1.376786030174e-03 0.0 -7.548133738992e-03 4.357378516019e-03
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5*0.0 1.793247517786e-02 -2.102680150985e-03 0.0 1.140047889917e-02 -7.523491527951e-03 5*0.0 -1.316251773034e-02 1.321472033382e-03 0.0 -7.277858911674e-03 4.195978643798e-03
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5*0.0 1.742817152131e-02 -2.028813448280e-03 0.0 1.104842286804e-02 -7.271251335812e-03 5*0.0 -1.271484135549e-02 1.268266721202e-03 0.0 -7.016374315295e-03 4.040239311910e-03
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5*0.0 1.693595181178e-02 -1.957350992856e-03 0.0 1.070603526500e-02 -7.026783756376e-03 5*0.0 -1.228053482959e-02 1.217096258907e-03 0.0 -6.763435094363e-03 3.889982154093e-03
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5*0.0 1.645559291891e-02 -1.888221602869e-03 0.0 1.037309200795e-02 -6.789875823061e-03 5*0.0 -1.185927140480e-02 1.167889125863e-03 0.0 -6.518801699519e-03 3.745033523220e-03
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5*0.0 1.598687384513e-02 -1.821355971169e-03 0.0 1.004937290119e-02 -6.560319476786e-03 5*0.0 -1.145072977700e-02 1.120576052760e-03 0.0 -6.282239826383e-03 3.605224398933e-03
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5*0.0 1.552957576692e-02 -1.756686622806e-03 0.0 9.734661608236e-03 -6.337911482301e-03 5*0.0 -1.105459409024e-02 1.075089960205e-03 0.0 -6.053520352899e-03 3.470390295930e-03
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5*0.0 1.508348207378e-02 -1.694147873281e-03 0.0 9.428745623468e-03 -6.122453345124e-03 5*0.0 -1.067055393637e-02 1.031365898658e-03 0.0 -5.832419275295e-03 3.340371172936e-03
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5*0.0 1.464837840494e-02 -1.633675787634e-03 0.0 9.131416242622e-03 -5.913751228904e-03 5*0.0 -1.029830434997e-02 9.893409896873e-04 0.0 -5.618717642789e-03 3.215011342419e-03
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5*0.0 1.422405268383e-02 -1.575208140256e-03 0.0 8.842468532237e-03 -5.711615873485e-03 5*0.0 -9.937545798943e-03 9.489543685410e-04 0.0 -5.412201491146e-03 3.094159381074e-03
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5*0.0 1.381029515028e-02 -1.518684375454e-03 0.0 8.561701298081e-03 -5.515862513271e-03 5*0.0 -9.587984170891e-03 9.101471280029e-04 0.0 -5.212661775209e-03 2.977668041132e-03
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5*0.0 1.340689839064e-02 -1.464045568770e-03 0.0 8.288917052576e-03 -5.326310796501e-03 5*0.0 -9.249330755490e-03 8.728622635231e-04 0.0 -5.019894300507e-03 2.865394162517e-03
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5*0.0 1.301365736564e-02 -1.411234389049e-03 0.0 8.023921981328e-03 -5.142784704985e-03 5*0.0 -8.921302223121e-03 8.370446196031e-04 0.0 -4.833699654047e-03 2.757198585890e-03
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5*0.0 1.263036943618e-02 -1.360195061202e-03 0.0 7.766525908747e-03 -4.965112474580e-03 5*0.0 -8.603620599895e-03 8.026408374163e-04 0.0 -4.653883134386e-03 2.652946066608e-03
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5*0.0 1.225683438709e-02 -1.310873329695e-03 0.0 7.516542262919e-03 -4.793126516357e-03 5*0.0 -8.296013239286e-03 7.695993036471e-04 0.0 -4.480254681082e-03 2.552505189634e-03
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5*0.0 1.189285444878e-02 -1.263216422723e-03 0.0 7.273788039601e-03 -4.626663338383e-03 5*0.0 -7.998212790561e-03 7.378701005282e-04 0.0 -4.312628803618e-03 2.455748285418e-03
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5*0.0 1.153823431688e-02 -1.217173017111e-03 0.0 7.038083765586e-03 -4.465563468362e-03 5*0.0 -7.709957164177e-03 7.074049570591e-04 0.0 -4.150824509884e-03 2.362551346773e-03
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5*0.0 1.119278116996e-02 -1.172693203849e-03 0.0 6.809253461295e-03 -4.309671376973e-03 5*0.0 -7.430989494325e-03 6.781572013857e-04 0.0 -3.994665234292e-03 2.272793946776e-03
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5*0.0 1.085630468532e-02 -1.129728454313e-03 0.0 6.587124602814e-03 -4.158835401941e-03 5*0.0 -7.161058098783e-03 6.500817143229e-04 0.0 -3.843978765632e-03 2.186359157710e-03
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5*0.0 1.052861705287e-02 -1.088231587202e-03 0.0 6.371528083331e-03 -4.012907672996e-03 5*0.0 -6.899916436253e-03 6.231348840007e-04 0.0 -3.698597174709e-03 2.103133471060e-03
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5*0.0 1.020953298715e-02 -1.048156736044e-03 0.0 6.162298174014e-03 -3.871744037592e-03 5*0.0 -6.647323061324e-03 5.972745616157e-04 0.0 -3.558356741868e-03 2.023006718592e-03
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5*0.0 9.898869737611e-03 -1.009459317377e-03 0.0 5.959272484322e-03 -3.735203987343e-03 5*0.0 -6.403041577224e-03 5.724600182677e-04 0.0 -3.423097884455e-03 1.945871994522e-03
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5*0.0 9.596447097078e-03 -9.720959995940e-04 0.0 5.762291921984e-03 -3.603150585459e-03 5*0.0 -6.166840586512e-03 5.486519028640e-04 0.0 -3.292665084288e-03 1.871625578792e-03
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5*0.0 9.302087408540e-03 -9.360246723670e-04 0.0 5.571200652484e-03 -3.475450394905e-03 5*0.0 -5.938493639838e-03 5.258122010710e-04 0.0 -3.166906815211e-03 1.800166861455e-03
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5*0.0 9.015615570221e-03 -9.012044167080e-04 0.0 5.385846058159e-03 -3.351973407456e-03 5*0.0 -5.717779182924e-03 5.039041952954e-04 0.0 -3.045675470768e-03 1.731398268203e-03
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5*0.0 8.736859039082e-03 -8.675954756508e-04 0.0 5.206078697023e-03 -3.232592973700e-03 5*0.0 -5.504480501891e-03 4.828924256754e-04 0.0 -2.928827292084e-03 1.665225187014e-03
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5*0.0 8.465647832702e-03 -8.351592254688e-04 0.0 5.031752261187e-03 -3.117185733672e-03 5*0.0 -5.298385667061e-03 4.627426520628e-04 0.0 -2.816222295981e-03 1.601555895956e-03
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5*0.0 8.201814529620e-03 -8.038581475724e-04 0.0 4.862723535116e-03 -3.005631548641e-03 5*0.0 -5.099287475354e-03 4.434218169792e-04 0.0 -2.707724203396e-03 1.540301492136e-03
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5*0.0 7.945194268219e-03 -7.736558009060e-04 0.0 4.698852353597e-03 -2.897813433611e-03 5*0.0 -4.906983391412e-03 4.248980095246e-04 0.0 -2.603200368148e-03 1.481375821801e-03
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5*0.0 7.695624744127e-03 -7.445167949600e-04 0.0 4.540001559517e-03 -2.793617490778e-03 5*0.0 -4.721275487547e-03 4.071404302234e-04 0.0 -2.502521706096e-03 1.424695411599e-03
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5*0.0 7.452946206227e-03 -7.164067632958e-04 0.0 4.386036961510e-03 -2.692932843859e-03 5*0.0 -4.541970382632e-03 3.901193567860e-04 0.0 -2.405562624731e-03 1.370179401002e-03
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5*0.0 7.217001451324e-03 -6.892923377118e-04 0.0 4.236827291411e-03 -2.595651573346e-03 5*0.0 -4.368879180047e-03 3.738061107710e-04 0.0 -2.312200953253e-03 1.317749475891e-03
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5*0.0 6.987635817490e-03 -6.631411228533e-04 0.0 4.092244161679e-03 -2.501668652585e-03 5*0.0 -4.201817404765e-03 3.581730251272e-04 0.0 -2.222317873151e-03 1.267329803297e-03
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5*0.0 6.764697176138e-03 -6.379216714181e-04 0.0 3.952162022697e-03 -2.410881884879e-03 5*0.0 -4.040604939695e-03 3.431934125990e-04 0.0 -2.135797849354e-03 1.218846967305e-03
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5*0.0 6.548035922876e-03 -6.136034598724e-04 0.0 3.816458120074e-03 -2.323191841402e-03 5*0.0 -3.885065961354e-03 3.288415349775e-04 0.0 -2.052528561950e-03 1.172229906122e-03
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5*0.0 6.337504967191e-03 -5.901568646909e-04 0.0 3.685012451879e-03 -2.238501800035e-03 5*0.0 -3.735028874986e-03 3.150925731783e-04 0.0 -1.972400838535e-03 1.127409850294e-03
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5*0.0 6.132959720993e-03 -5.675531390700e-04 0.0 3.557707725939e-03 -2.156717685108e-03 5*0.0 -3.590326249181e-03 3.019225981301e-04 0.0 -1.895308587205e-03 1.084320262075e-03
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5*0.0 5.934258086057e-03 -5.457643902312e-04 0.0 3.434429317133e-03 -2.077748008172e-03 5*0.0 -3.450794750101e-03 2.893085424560e-04 0.0 -1.821148730226e-03 1.042896775951e-03
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5*0.0 5.741260440448e-03 -5.247635571128e-04 0.0 3.315065224816e-03 -2.001503809424e-03 5*0.0 -3.316275075386e-03 2.772281729310e-04 0.0 -1.749821138400e-03 1.003077140296e-03
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5*0.0 5.553829623909e-03 -5.045243886144e-04 0.0 3.199506030239e-03 -1.927898600255e-03 5*0.0 -3.186611887806e-03 2.656600636973e-04 0.0 -1.681228566166e-03 9.648011601691e-04
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5*0.0 5.371830922305e-03 -4.850214222972e-04 0.0 3.087644854149e-03 -1.856848306625e-03 5*0.0 -3.061653748740e-03 2.545835702238e-04 0.0 -1.615276587433e-03 9.280106412445e-04
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5*0.0 5.195132051137e-03 -4.662299635612e-04 0.0 2.979377314516e-03 -1.788271213355e-03 5*0.0 -2.941253051549e-03 2.439788039894e-04 0.0 -1.551873532193e-03 8.926493348547e-04
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5*0.0 5.023603138186e-03 -4.481260652546e-04 0.0 2.874601484375e-03 -1.722087909268e-03 5*0.0 -2.825265954906e-03 2.338266078776e-04 0.0 -1.490930423913e-03 8.586628841540e-04
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5*0.0 4.857116705296e-03 -4.306865078071e-04 0.0 2.773217849884e-03 -1.658221233394e-03 5*0.0 -2.713552316148e-03 2.241085322632e-04 0.0 -1.432360917728e-03 8.259987713840e-04
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5*0.0 4.695547649392e-03 -4.138887797209e-04 0.0 2.675129268580e-03 -1.596596221793e-03 5*0.0 -2.605975624698e-03 2.148068117780e-04 0.0 -1.376081239458e-03 7.946062662354e-04
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5*0.0 4.538773222708e-03 -3.977110585627e-04 0.0 2.580240927808e-03 -1.537140055533e-03 5*0.0 -2.502402935638e-03 2.059043427375e-04 0.0 -1.322010125442e-03 7.644363752958e-04
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5*0.0 4.386673012302e-03 -3.821321923630e-04 0.0 2.488460303440e-03 -1.479782009437e-03 5*0.0 -2.402704803454e-03 1.973846612150e-04 0.0 -1.270068763235e-03 7.354417925732e-04
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5*0.0 4.239128918895e-03 -3.671316814451e-04 0.0 2.399697118799e-03 -1.424453401737e-03 5*0.0 -2.306755216030e-03 1.892319217474e-04 0.0 -1.220180733140e-03 7.075768510845e-04
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5*0.0 4.096025135059e-03 -3.526896606554e-04 0.0 2.313863303880e-03 -1.371087544595e-03 5*0.0 -2.214431528927e-03 1.814308766570e-04 0.0 -1.172271950616e-03 6.807974754980e-04
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5*0.0 3.957248122777e-03 -3.387868820425e-04 0.0 2.230872954848e-03 -1.319619695619e-03 5*0.0 -2.125614399988e-03 1.739668559757e-04 0.0 -1.126270609551e-03 6.550611358181e-04
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5*0.0 3.822686590481e-03 -3.254046978864e-04 0.0 2.150642293839e-03 -1.269987010009e-03 5*0.0 -2.040187724323e-03 1.668257479572e-04 0.0 -1.082107126420e-03 6.303268021012e-04
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5*0.0 3.692231469495e-03 -3.125250441492e-04 0.0 2.073089629050e-03 -1.222128493807e-03 5*0.0 -1.958038569709e-03 1.599939801616e-04 0.0 -1.039714085321e-03 6.065549001896e-04
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5*0.0 3.565775890009e-03 -3.001304243119e-04 0.0 1.998135315203e-03 -1.175984957901e-03 5*0.0 -1.879057112432e-03 1.534585010999e-04 0.0 -9.990261839061e-04 5.837072684518e-04
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5*0.0 3.443215156581e-03 -2.882038936083e-04 0.0 1.925701714340e-03 -1.131498972969e-03 5*0.0 -1.803136573632e-03 1.472067624242e-04 0.0 -9.599801802040e-04 5.617471155157e-04
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|
||||
5*0.0 2.193826683637e-05 1.060734407920e-06 0.0 -1.472394028276e-06 2.493170790157e-05 5*0.0 -2.760020691505e-05 -4.005881478804e-06 0.0 1.660006163796e-05 -4.717968498753e-05
|
||||
5*0.0 2.131748810410e-05 1.104683439955e-06 0.0 -1.923808904044e-06 2.495476009612e-05 5*0.0 -2.642803909500e-05 -4.055042641588e-06 0.0 1.724246570681e-05 -4.693460481590e-05
|
||||
5*0.0 2.070544955181e-05 1.147130603582e-06 0.0 -2.364970953931e-06 2.496521325130e-05 5*0.0 -2.526579805674e-05 -4.101505410994e-06 0.0 1.786718893621e-05 -4.667247614219e-05
|
||||
5*0.0 2.010178717967e-05 1.188103705659e-06 0.0 -2.796046927958e-06 2.496330954786e-05 5*0.0 -2.411371889355e-05 -4.145308382363e-06 0.0 1.847429696578e-05 -4.639367581066e-05
|
||||
5*0.0 1.950616333180e-05 1.227629577653e-06 0.0 -3.217194535858e-06 2.494928810304e-05 5*0.0 -2.297203287690e-05 -4.186490318413e-06 0.0 1.906386041972e-05 -4.609858067693e-05
|
||||
5*0.0 1.891826536013e-05 1.265734134619e-06 0.0 -3.628563047389e-06 2.492338509851e-05 5*0.0 -2.184096705893e-05 -4.225090138944e-06 0.0 1.963595490457e-05 -4.578756747585e-05
|
||||
5*0.0 1.833780433433e-05 1.302442438625e-06 0.0 -4.030293853058e-06 2.488583397307e-05 5*0.0 -2.072074390553e-05 -4.261146909866e-06 0.0 2.019066099592e-05 -4.546101268892e-05
|
||||
5*0.0 1.776451379733e-05 1.337778750178e-06 0.0 -4.422521009861e-06 2.483686557203e-05 5*0.0 -1.961158095867e-05 -4.294699831617e-06 0.0 2.072806421460e-05 -4.511929241146e-05
|
||||
5*0.0 1.719814857782e-05 1.371766591654e-06 0.0 -4.805371754596e-06 2.477670830749e-05 5*0.0 -1.851369052658e-05 -4.325788227053e-06 0.0 2.124825499320e-05 -4.476278221989e-05
|
||||
5*0.0 1.663848364000e-05 1.404428792358e-06 0.0 -5.178966988194e-06 2.470558829596e-05 5*0.0 -1.742727940064e-05 -4.354451528864e-06 0.0 2.175132863339e-05 -4.439185703933e-05
|
||||
5*0.0 1.608531297856e-05 1.435787537800e-06 0.0 -5.543421754503e-06 2.462372947167e-05 5*0.0 -1.635254859774e-05 -4.380729266582e-06 0.0 2.223738525472e-05 -4.400689101181e-05
|
||||
5*0.0 1.553844855994e-05 1.465864415871e-06 0.0 -5.898845680867e-06 2.453135372315e-05 5*0.0 -1.528969312684e-05 -4.404661053238e-06 0.0 2.270652973550e-05 -4.360825736515e-05
|
||||
5*0.0 1.499771930218e-05 1.494680456989e-06 0.0 -6.245343377708e-06 2.442868095824e-05 5*0.0 -1.423890177872e-05 -4.426286571730e-06 0.0 2.315887164630e-05 -4.319632828304e-05
|
||||
5*0.0 1.446297009550e-05 1.522256176373e-06 0.0 -6.583014876710e-06 2.431592927879e-05 5*0.0 -1.320035693785e-05 -4.445645560932e-06 0.0 2.359452517659e-05 -4.277147477608e-05
|
||||
5*0.0 1.393406086795e-05 1.548611604843e-06 0.0 -6.911955976129e-06 2.419331495033e-05 5*0.0 -1.217423441511e-05 -4.462777801625e-06 0.0 2.401360905510e-05 -4.233406655442e-05
|
||||
5*0.0 1.341086566873e-05 1.573766347690e-06 0.0 -7.232258625537e-06 2.406105261488e-05 5*0.0 -1.116070330063e-05 -4.477723102261e-06 0.0 2.441624646428e-05 -4.188447190180e-05
|
||||
5*0.0 1.289327182307e-05 1.597739580814e-06 0.0 -7.544011240881e-06 2.391935529123e-05 5*0.0 -1.015992583560e-05 -4.490521284631e-06 0.0 2.480256494946e-05 -4.142305755137e-05
|
||||
5*0.0 1.238117908934e-05 1.620550107199e-06 0.0 -7.847299049671e-06 2.376843443794e-05 5*0.0 -9.172057302043e-06 -4.501212169456e-06 0.0 2.517269632308e-05 -4.095018856332e-05
|
||||
5*0.0 1.187449886830e-05 1.642216378084e-06 0.0 -8.142204382457e-06 2.360850003041e-05 5*0.0 -8.197245929910e-06 -4.509835561953e-06 0.0 2.552677656441e-05 -4.046622820461e-05
|
||||
5*0.0 1.137315344209e-05 1.662756520144e-06 0.0 -8.428806962843e-06 2.343976060741e-05 5*0.0 -7.235632820276e-06 -4.516431237402e-06 0.0 2.586494571524e-05 -3.997153783067e-05
|
||||
5*0.0 1.087707524612e-05 1.682188360393e-06 0.0 -8.707184178113e-06 2.326242331651e-05 5*0.0 -6.287351884059e-06 -4.521038926748e-06 0.0 2.618734777188e-05 -3.946647676943e-05
|
||||
5*0.0 1.038620617367e-05 1.700529450140e-06 0.0 -8.977411333826e-06 2.307669395414e-05 5*0.0 -5.352529795309e-06 -4.523698302272e-06 0.0 2.649413057382e-05 -3.895140220773e-05
|
||||
5*0.0 9.900496905702e-06 1.717797087281e-06 0.0 -9.239561896631e-06 2.288277700800e-05 5*0.0 -4.431285958331e-06 -4.524448963357e-06 0.0 2.678544568952e-05 -3.842666908005e-05
|
||||
5*0.0 9.419906286246e-06 1.734008325015e-06 0.0 -9.493707707547e-06 2.268087564749e-05 5*0.0 -3.523732487869e-06 -4.523330422371e-06 0.0 2.706144829953e-05 -3.789262995987e-05
|
||||
5*0.0 8.944400704621e-06 1.749180011533e-06 0.0 -9.739919212722e-06 2.247119181216e-05 5*0.0 -2.629974201644e-06 -4.520382090699e-06 0.0 2.732229707731e-05 -3.734963495361e-05
|
||||
5*0.0 8.473953524698e-06 1.763328787321e-06 0.0 -9.978265627514e-06 2.225392616692e-05 5*0.0 -1.750108624518e-06 -4.515643264937e-06 0.0 2.756815406817e-05 -3.679803159723e-05
|
||||
5*0.0 8.008544526178e-06 1.776471118671e-06 0.0 -1.020881517752e-05 2.202927817229e-05 5*0.0 -8.842260036466e-07 -4.509153113282e-06 0.0 2.779918456641e-05 -3.623816475561e-05
|
||||
5*0.0 7.548159392843e-06 1.788623289558e-06 0.0 -1.043163520222e-05 2.179744604921e-05 5*0.0 -3.240933394383e-08 -4.500950662120e-06 0.0 2.801555699111e-05 -3.567037652474e-05
|
||||
5*0.0 7.092789199043e-06 1.799801442098e-06 0.0 -1.064679236956e-05 2.155862683052e-05 5*0.0 8.052656067415e-07 -4.491074782839e-06 0.0 2.821744276082e-05 -3.509500613669e-05
|
||||
5*0.0 6.642429947589e-06 1.810021562549e-06 0.0 -1.085435278820e-05 2.131301631253e-05 5*0.0 1.628730213343e-06 -4.479564178893e-06 0.0 2.840501616726e-05 -3.451238986757e-05
|
||||
5*0.0 6.197082113353e-06 1.819299508551e-06 0.0 -1.105438216400e-05 2.106080909313e-05 5*0.0 2.437923000761e-06 -4.466457373099e-06 0.0 2.857845424846e-05 -3.392286094837e-05
|
||||
5*0.0 5.756750212379e-06 1.827651012323e-06 0.0 -1.124694592287e-05 2.080219855882e-05 5*0.0 3.232789543051e-06 -4.451792695225e-06 0.0 2.873793666138e-05 -3.332674947878e-05
|
||||
5*0.0 5.321442405904e-06 1.835091694338e-06 0.0 -1.143210932493e-05 2.053737688301e-05 5*0.0 4.013282405165e-06 -4.435608269835e-06 0.0 2.888364555439e-05 -3.272438234399e-05
|
||||
5*0.0 4.891170107639e-06 1.841637065682e-06 0.0 -1.160993757142e-05 2.026653500291e-05 5*0.0 4.779361067731e-06 -4.417942004442e-06 0.0 2.901576543971e-05 -3.211608313452e-05
|
||||
5*0.0 4.465947619027e-06 1.847302543748e-06 0.0 -1.178049591984e-05 1.998986264387e-05 5*0.0 5.530991845368e-06 -4.398831577942e-06 0.0 2.913448306597e-05 -3.150217206906e-05
|
||||
5*0.0 4.045791791339e-06 1.852103454189e-06 0.0 -1.194384974947e-05 1.970754827227e-05 5*0.0 6.268147798989e-06 -4.378314429373e-06 0.0 2.923998729117e-05 -3.088296592035e-05
|
||||
5*0.0 3.630721695835e-06 1.856055028646e-06 0.0 -1.210006464147e-05 1.941977904438e-05 5*0.0 6.990808642557e-06 -4.356427746973e-06 0.0 2.933246895617e-05 -3.025877794407e-05
|
||||
5*0.0 3.220758318977e-06 1.859172421045e-06 0.0 -1.224920648525e-05 1.912674090792e-05 5*0.0 7.698960644699e-06 -4.333208457564e-06 0.0 2.941212075881e-05 -2.962991781084e-05
|
||||
5*0.0 2.815924263786e-06 1.861470713717e-06 0.0 -1.239134152285e-05 1.882861848798e-05 5*0.0 8.392596525597e-06 -4.308693216268e-06 0.0 2.947913712885e-05 -2.899669154118e-05
|
||||
5*0.0 2.416243487290e-06 1.862964909184e-06 0.0 -1.252653640456e-05 1.852559508634e-05 5*0.0 9.071715349542e-06 -4.282918396540e-06 0.0 2.953371410393e-05 -2.835940144355e-05
|
||||
5*0.0 2.021741035776e-06 1.863669942275e-06 0.0 -1.265485825087e-05 1.821785267124e-05 5*0.0 9.736322413532e-06 -4.255920080548e-06 0.0 2.957604920654e-05 -2.771834605540e-05
|
||||
5*0.0 1.632442804579e-06 1.863600681152e-06 0.0 -1.277637469987e-05 1.790557185054e-05 5*0.0 1.038642913226e-05 -4.227734049877e-06 0.0 2.960634132230e-05 -2.707382008716e-05
|
||||
5*0.0 1.248375306890e-06 1.862771926286e-06 0.0 -1.289115393312e-05 1.758893186211e-05 5*0.0 1.102205291982e-05 -4.198395776586e-06 0.0 2.962479057945e-05 -2.642611436935e-05
|
||||
5*0.0 8.695654632916e-07 1.861198422939e-06 0.0 -1.299926474236e-05 1.726811051388e-05 5*0.0 1.164321706853e-05 -4.167940414591e-06 0.0 2.963159822984e-05 -2.577551580250e-05
|
||||
5*0.0 4.960403986989e-07 1.858894839892e-06 0.0 -1.310077652776e-05 1.694328418916e-05 5*0.0 1.224995062505e-05 -4.136402791399e-06 0.0 2.962696653148e-05 -2.512230731012e-05
|
||||
5*0.0 1.278272555577e-07 1.855875796824e-06 0.0 -1.319575933687e-05 1.661462782472e-05 5*0.0 1.284228826419e-05 -4.103817400179e-06 0.0 2.961109863260e-05 -2.446676779455e-05
|
||||
5*0.0 -2.350469820994e-07 1.852155849097e-06 0.0 -1.328428388783e-05 1.628231488114e-05 5*0.0 1.342027016073e-05 -4.070218392171e-06 0.0 2.958419845752e-05 -2.380917209566e-05
|
||||
5*0.0 -5.925556508040e-07 1.847749486873e-06 0.0 -1.336642157476e-05 1.594651729231e-05 5*0.0 1.398394185934e-05 -4.035639569444e-06 0.0 2.954647059423e-05 -2.314979095247e-05
|
||||
5*0.0 -9.446725725803e-07 1.842671153659e-06 0.0 -1.344224449681e-05 1.560740547967e-05 5*0.0 1.453335414310e-05 -4.000114377981e-06 0.0 2.949812018385e-05 -2.248889096753e-05
|
||||
5*0.0 -1.291372177611e-06 1.836935217870e-06 0.0 -1.351182544582e-05 1.526514828633e-05 5*0.0 1.506856290059e-05 -3.963675901109e-06 0.0 2.943935281197e-05 -2.182673457408e-05
|
||||
5*0.0 -1.632629649502e-06 1.830555990843e-06 0.0 -1.357523792349e-05 1.491991297408e-05 5*0.0 1.558962899208e-05 -3.926356853259e-06 0.0 2.937037440202e-05 -2.116358000603e-05
|
||||
5*0.0 -1.968421044151e-06 1.823547721195e-06 0.0 -1.363255613886e-05 1.457186519070e-05 5*0.0 1.609661811475e-05 -3.888189574060e-06 0.0 2.929139111059e-05 -2.049968127055e-05
|
||||
5*0.0 -2.298723402380e-06 1.815924593832e-06 0.0 -1.368385500790e-05 1.422116894265e-05 5*0.0 1.658960066738e-05 -3.849206022760e-06 0.0 2.920260922488e-05 -1.983528812338e-05
|
||||
Spline
|
||||
47 4.2
|
||||
2.813730278950125 4.615141789326417 0.001737132463214941
|
||||
1.2 1.24 3.452742 -9.710196888592517 13.66093750000003 4.068367870323879
|
||||
1.24 1.28 3.086452 -8.597793722814959 14.1491416444389 -20.34183935161963
|
||||
1.28 1.32 2.763877 -7.563503220147621 11.70812092224454 -11.38851046384847
|
||||
1.32 1.36 2.479341 -6.68151839659453 10.34149966658272 -11.63536879297831
|
||||
1.36 1.4 2.227882 -5.910048193474207 8.945255411425324 -9.648139364272151
|
||||
1.4 1.44 2.005175 -5.240738829508691 7.787478687712671 -8.490823749883013
|
||||
1.44 1.48 1.807462 -4.658496488491116 6.768579837726708 -7.294815636215873
|
||||
1.48 1.52 1.631485 -4.152025216526814 5.893201961380803 -6.298663705261704
|
||||
1.52 1.56 1.47443 -3.710802645401606 5.137362316749398 -5.416779542727482
|
||||
1.56 1.6 1.333871 -3.325814201866745 4.487348771622099 -4.627968123835868
|
||||
1.6 1.64 1.207722 -2.98904054713139 3.931992596761795 -3.977597961932285
|
||||
1.64 1.68 1.094197 -2.693573609607722 3.454680841329923 -3.383515028423461
|
||||
1.68 1.72 0.9917649999999999 -2.433440014437761 3.048659037919107 -2.89459192437397
|
||||
1.72 1.76 0.89912 -2.203441332641227 2.701308006994231 -2.45999227408889
|
||||
1.76 1.8 0.815147 -1.999144654997315 2.406108934103564 -2.109188979265536
|
||||
1.8 1.84 0.738896 -1.816780047369504 2.153006256591699 -1.790751808851158
|
||||
1.84 1.88 0.669555 -1.653135155524654 1.93811603952956 -1.540303785335304
|
||||
1.88 1.92 0.606432 -1.505479330531899 1.753279585289324 -1.329283049794757
|
||||
1.92 1.96 0.548933 -1.371597522347768 1.593765619313953 -1.142564015495174
|
||||
1.96 2 0.4965459999999999 -1.249580580077029 1.456657937454532 -1.006710888218288
|
||||
2 2.04 0.448829 -1.137880157344114 1.335852630868337 -0.8774674316381063
|
||||
2.04 2.08 0.4053949999999999 -1.03522379054651 1.230556539071765 -0.7959193852234252
|
||||
2.08 2.12 0.365904 -0.9405996804698407 1.135046212844953 -0.7044800274733136
|
||||
2.12 2.16 0.330051 -0.8531774875741163 1.050508609548156 -0.6517855048802427
|
||||
2.16 2.2 0.297563 -0.7722653692336888 0.9722943489625265 -0.5946279530078457
|
||||
2.2 2.24 0.26819 -0.6973360354911243 0.900938994601585 -0.5634526830863087
|
||||
2.24 2.28 0.241702 -0.6279654888018118 0.8333246726312279 -0.526561314652075
|
||||
2.28 2.32 0.217883 -0.5638270093016441 0.7701373148729795 -0.5021770582963616
|
||||
2.32 2.36 0.19653 -0.5046264739916283 0.7098760678774161 -0.4803554521677084
|
||||
2.36 2.4 0.17745 -0.4501420947318399 0.652233413617291 -0.4670261330322034
|
||||
2.4 2.44 0.160458 -0.4002051470810112 0.5961902776534266 -0.4327900157032379
|
||||
2.44 2.48 0.145376 -0.3545873169441126 0.544255475769038 -0.4424388041553101
|
||||
2.48 2.52 0.132035 -0.313170585142535 0.4911628192704007 -0.3912047676757186
|
||||
2.52 2.56 0.120269 -0.2757553424857463 0.4442182471493145 -0.4146171251411628
|
||||
2.56 2.6 0.109923 -0.2422080449144787 0.3944641921323749 -0.3565767317601231
|
||||
2.6 2.64 0.100843 -0.2123624778563373 0.3516749843211601 -0.3622009478181334
|
||||
2.64 2.68 0.092888 -0.1859670436601715 0.308210870582984 -0.335244476967311
|
||||
2.68 2.72 0.085921 -0.1629193475029759 0.2679815333469067 -0.3124461443124854
|
||||
2.72 2.76 0.07981300000000001 -0.1429805663279233 0.2304879960294084 -0.2899709457839551
|
||||
2.76 2.8 0.07444400000000001 -0.1259333871853337 0.1956914825353341 -0.2620450725498433
|
||||
2.8 2.84 0.069703 -0.1115358849307462 0.1642460738293529 -0.2399737640172928
|
||||
2.84 2.88 0.06548900000000001 -0.09954807309168101 0.1354492221472778 -0.2155598713813362
|
||||
2.88 2.92 0.06171 -0.08974682270252919 0.1095820375815174 -0.2102867504571548
|
||||
2.92 2.96 0.058282 -0.08198963609820215 0.08434762752665878 -0.06829312679007485
|
||||
2.96 3 0.055133 -0.07556963290466179 0.07615245231184979 -0.5009157423824446
|
||||
3 3.48 0.05220000000000001 -0.07188183228314954 0.01604256322595639 0.005489302378575448
|
||||
3.48 4.2 0.022 -0.05268676578216006 0.02394715865110504 -0.07939973678430168 0.2372821013439847 -0.1582020466867453
|
||||
571
tests/DFTB/scc/co.spl
Normal file
571
tests/DFTB/scc/co.spl
Normal file
|
|
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5*0.0 1.618063022217e-01 -4.398895196891e-02 0.0 1.388700853271e-01 -1.300151008924e-01 5*0.0 -1.718264165469e-01 4.183069612712e-02 0.0 -1.247959748386e-01 9.037823939878e-02
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5*0.0 1.561295816615e-01 -4.158019105129e-02 0.0 1.331162528775e-01 -1.235112590872e-01 5*0.0 -1.654659236823e-01 3.933994895676e-02 0.0 -1.192710418363e-01 8.562187374171e-02
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5*0.0 1.505871953514e-01 -3.929377335403e-02 0.0 1.275450965397e-01 -1.172849721162e-01 5*0.0 -1.592143423915e-01 3.698122765618e-02 0.0 -1.139160551559e-01 8.107175760407e-02
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5*0.0 1.347637352640e-01 -3.311179454260e-02 0.0 1.119006264486e-01 -1.001832688085e-01 5*0.0 -1.411853988835e-01 3.063931672931e-02 0.0 -9.886817633713e-02 6.859955225285e-02
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5*0.0 1.322430906613e-01 -3.217324927203e-02 0.0 1.094452560545e-01 -9.755158822335e-02 5*0.0 -1.382943130000e-01 2.968214622942e-02 0.0 -9.650739075296e-02 6.668481345321e-02
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5*0.0 1.297555400684e-01 -3.125925606051e-02 0.0 1.070322869411e-01 -9.497951802319e-02 5*0.0 -1.354373826351e-01 2.875172653291e-02 0.0 -9.418820954930e-02 6.481492310522e-02
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5*0.0 1.273009804030e-01 -3.036922038403e-02 0.0 1.046613120308e-01 -9.246600826399e-02 5*0.0 -1.326151207056e-01 2.784742059397e-02 0.0 -9.191041355142e-02 6.298913341131e-02
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5*0.0 1.248793000692e-01 -2.950256146774e-02 0.0 1.023319176215e-01 -9.001001770417e-02 5*0.0 -1.298279945352e-01 2.696860273795e-02 0.0 -8.967376343865e-02 6.120669823041e-02
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5*0.0 1.224903792805e-01 -2.865871195406e-02 0.0 1.000436839170e-01 -8.761051413087e-02 5*0.0 -1.270764272920e-01 2.611465859557e-02 0.0 -8.747800074192e-02 5.946687355512e-02
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5*0.0 1.201340903766e-01 -2.783711758043e-02 0.0 9.779618553983e-02 -8.526647466586e-02 5*0.0 -1.243607994103e-01 2.528498503136e-02 0.0 -8.532284881791e-02 5.776891796759e-02
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5*0.0 1.178102981317e-01 -2.703723686566e-02 0.0 9.558899202448e-02 -8.297688605040e-02 5*0.0 -1.216814499929e-01 2.447899006689e-02 0.0 -8.320801379982e-02 5.611209307488e-02
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5*0.0 1.155188600517e-01 -2.625854080514e-02 0.0 9.342166829181e-02 -8.074074490961e-02 5*0.0 -1.190386781954e-01 2.369609279884e-02 0.0 -8.113318552469e-02 5.449566392389e-02
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5*0.0 1.132596266595e-01 -2.550051257422e-02 0.0 9.129377510229e-02 -7.855705799638e-02 5*0.0 -1.164327445912e-01 2.293572331240e-02 0.0 -7.909803843723e-02 5.291889939655e-02
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5*0.0 1.110324417653e-01 -2.476264723967e-02 0.0 8.920486948861e-02 -7.642484241527e-02 5*0.0 -1.138638725162e-01 2.219732259016e-02 0.0 -7.710223247033e-02 5.138107258560e-02
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5*0.0 1.088371427231e-01 -2.404445147897e-02 0.0 8.715450516767e-02 -7.434312582678e-02 5*0.0 -1.113322493921e-01 2.148034241687e-02 0.0 -7.514541390218e-02 4.988146115142e-02
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5*0.0 1.066735606720e-01 -2.334544330725e-02 0.0 8.514223293190e-02 -7.231094663290e-02 5*0.0 -1.088380280298e-01 2.078424528017e-02 0.0 -7.322721619018e-02 4.841934766039e-02
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5*0.0 1.045415207622e-01 -2.266515181157e-02 0.0 8.316760102061e-02 -7.032735414437e-02 5*0.0 -1.063813279100e-01 2.010850426776e-02 0.0 -7.134726078173e-02 4.699401990522e-02
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5*0.0 1.024408423664e-01 -2.200311689255e-02 0.0 8.123015547210e-02 -6.839140873061e-02 5*0.0 -1.039622364416e-01 1.945260296111e-02 0.0 -6.950515790202e-02 4.560477120765e-02
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5*0.0 1.003713392781e-01 -2.135888901294e-02 0.0 7.932944045722e-02 -6.650218195322e-02 5*0.0 -1.015808101982e-01 1.881603532598e-02 0.0 -6.770050731903e-02 4.425090070409e-02
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5*0.0 9.833281989657e-02 -2.073202895317e-02 0.0 7.746499859550e-02 -6.465875668358e-02 5*0.0 -9.923707613104e-02 1.819830560001e-02 0.0 -6.593289908593e-02 4.293171361459e-02
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5*0.0 9.632508740015e-02 -2.012210757349e-02 0.0 7.563637125484e-02 -6.286022720597e-02 5*0.0 -9.693103275910e-02 1.759892817762e-02 0.0 -6.420191426100e-02 4.164652149549e-02
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5*0.0 9.434793990975e-02 -1.952870558270e-02 0.0 7.384309883571e-02 -6.110569930644e-02 5*0.0 -9.466265133520e-02 1.701742749236e-02 0.0 -6.250712560542e-02 4.039464247643e-02
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5*0.0 9.240117064341e-02 -1.895141331293e-02 0.0 7.208472104104e-02 -5.939429034870e-02 5*0.0 -9.243187698892e-02 1.645333789702e-02 0.0 -6.084809825910e-02 3.917540148197e-02
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5*0.0 9.048456806361e-02 -1.838983050084e-02 0.0 7.036077713294e-02 -5.772512933775e-02 5*0.0 -9.023862984526e-02 1.590620354162e-02 0.0 -5.922439039478e-02 3.798813043835e-02
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5*0.0 8.859791601887e-02 -1.784356607453e-02 0.0 6.867080617702e-02 -5.609735697190e-02 5*0.0 -8.808280611940e-02 1.537557824949e-02 0.0 -5.763555385077e-02 3.683216846585e-02
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5*0.0 8.674099388105e-02 -1.731223794597e-02 0.0 6.701434727548e-02 -5.451012568386e-02 5*0.0 -8.596427918724e-02 1.486102539173e-02 0.0 -5.608113474253e-02 3.570686205709e-02
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5*0.0 8.491357667975e-02 -1.679547280923e-02 0.0 6.539093978983e-02 -5.296259967189e-02 5*0.0 -8.388290063179e-02 1.436211776001e-02 0.0 -5.456067405342e-02 3.461156524191e-02
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5*0.0 8.311543523504e-02 -1.629290594361e-02 0.0 6.380012355413e-02 -5.145395492116e-02 5*0.0 -8.183850126518e-02 1.387843743818e-02 0.0 -5.307370820496e-02 3.354563973896e-02
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5*0.0 8.134633628973e-02 -1.580418102217e-02 0.0 6.224143907938e-02 -4.998337921652e-02 5*0.0 -7.983089212657e-02 1.340957567254e-02 0.0 -5.161976960683e-02 3.250845509475e-02
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5*0.0 7.960604264210e-02 -1.532894992486e-02 0.0 6.071442775012e-02 -4.855007214653e-02 5*0.0 -7.785986545563e-02 1.295513274122e-02 0.0 -5.019838718706e-02 3.149938881031e-02
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5*0.0 7.789431327988e-02 -1.486687255658e-02 0.0 5.921863201333e-02 -4.715324509995e-02 5*0.0 -7.592519564193e-02 1.251471782256e-02 0.0 -4.880908690269e-02 3.051782645608e-02
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5*0.0 7.621090351619e-02 -1.441761666961e-02 0.0 5.775359556080e-02 -4.579212125459e-02 5*0.0 -7.402664015021e-02 1.208794886292e-02 0.0 -4.745139223119e-02 2.956316177528e-02
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5*0.0 7.455556512784e-02 -1.398085769044e-02 0.0 5.631886350497e-02 -4.446593555930e-02 5*0.0 -7.216394042160e-02 1.167445244375e-02 0.0 -4.612482464309e-02 2.863479677629e-02
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5*0.0 7.292804649632e-02 -1.355627855093e-02 0.0 5.491398254882e-02 -4.317393470942e-02 5*0.0 -7.033682275093e-02 1.127386364836e-02 0.0 -4.482890405618e-02 2.773214181432e-02
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5*0.0 7.132809275159e-02 -1.314356952330e-02 0.0 5.353850115031e-02 -4.191537711589e-02 5*0.0 -6.854499914036e-02 1.088582592824e-02 0.0 -4.356314927146e-02 2.685461566291e-02
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5*0.0 6.975544591860e-02 -1.274242805935e-02 0.0 5.219196968125e-02 -4.068953286864e-02 5*0.0 -6.678816812938e-02 1.050999096932e-02 0.0 -4.232707839155e-02 2.600164557544e-02
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5*0.0 6.820984506656e-02 -1.235255863322e-02 0.0 5.087394058115e-02 -3.949568369431e-02 5*0.0 -6.506601560146e-02 1.014601855804e-02 0.0 -4.112020922152e-02 2.517266733726e-02
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5*0.0 6.669102646048e-02 -1.197367258801e-02 0.0 4.958396850601e-02 -3.833312290863e-02 5*0.0 -6.337821556751e-02 9.793576447540e-03 0.0 -3.994205965290e-02 2.436712530860e-02
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5*0.0 6.519872371479e-02 -1.160548798590e-02 0.0 4.832161047222e-02 -3.720115536388e-02 5*0.0 -6.172443092642e-02 9.452340223938e-03 0.0 -3.879214803093e-02 2.358447245875e-02
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5*0.0 6.373266794864e-02 -1.124772946172e-02 0.0 4.708642599560e-02 -3.609909739155e-02 5*0.0 -6.010431420285e-02 9.121993172918e-03 0.0 -3.766999350567e-02 2.282417039186e-02
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5*0.0 6.229258794226e-02 -1.090012807995e-02 0.0 4.587797722557e-02 -3.502627674024e-02 5*0.0 -5.851750826259e-02 8.802226146613e-03 0.0 -3.657511636718e-02 2.208568936460e-02
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5*0.0 6.087821029412e-02 -1.056242119491e-02 0.0 4.469582907455e-02 -3.398203250938e-02 5*0.0 -5.696364700580e-02 8.492737430945e-03 0.0 -3.550703836524e-02 2.136850829616e-02
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5*0.0 5.948925957818e-02 -1.023435231416e-02 0.0 4.353954934240e-02 -3.296571507879e-02 5*0.0 -5.544235603826e-02 8.193232613498e-03 0.0 -3.446528301397e-02 2.067211477088e-02
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5*0.0 5.812545850091e-02 -9.915670965009e-03 0.0 4.240870883611e-02 -3.197668603403e-02 5*0.0 -5.395325332111e-02 7.903424451990e-03 0.0 -3.344937588166e-02 1.999600503369e-02
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5*0.0 5.678652805747e-02 -9.606132563962e-03 0.0 4.130288148444e-02 -3.101431808816e-02 5*0.0 -5.249594979926e-02 7.623032743442e-03 0.0 -3.245884486637e-02 1.933968397896e-02
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5*0.0 5.547218768677e-02 -9.305498289056e-03 0.0 4.022164444762e-02 -3.007799499976e-02 5*0.0 -5.107005000887e-02 7.351784194102e-03 0.0 -3.149322045742e-02 1.870266513281e-02
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5*0.0 5.418215542479e-02 -9.013534955121e-03 0.0 3.916457822209e-02 -2.916711148744e-02 5*0.0 -4.967515266413e-02 7.089412290208e-03 0.0 -3.055203598332e-02 1.808447062933e-02
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5*0.0 5.291614805596e-02 -8.730014891830e-03 0.0 3.813126674030e-02 -2.828107314116e-02 5*0.0 -4.831085122379e-02 6.835657169651e-03 0.0 -2.963482784655e-02 1.748463118092e-02
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5*0.0 5.167388126224e-02 -8.454715824149e-03 0.0 3.712129746521e-02 -2.741929633024e-02 5*0.0 -4.697673443774e-02 6.590265494596e-03 0.0 -2.874113574533e-02 1.690268604311e-02
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5*0.0 5.045506976960e-02 -8.187420755779e-03 0.0 3.613426148008e-02 -2.658120810843e-02 5*0.0 -4.567238687388e-02 6.352990325123e-03 0.0 -2.787050288298e-02 1.633818297410e-02
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5*0.0 4.925942749158e-02 -7.927917854845e-03 0.0 3.516975357302e-02 -2.576624611615e-02 5*0.0 -4.439738942587e-02 6.123590993952e-03 0.0 -2.702247616515e-02 1.579067818927e-02
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5*0.0 4.808666766995e-02 -7.676000342065e-03 0.0 3.422737231652e-02 -2.497385847999e-02 5*0.0 -4.315131980187e-02 5.901832982278e-03 0.0 -2.619660638521e-02 1.525973631101e-02
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5*0.0 3.851406331661e-02 -5.718330829369e-03 0.0 2.667736588064e-02 -1.877221087002e-02 5*0.0 -3.316776498319e-02 4.214062033796e-03 0.0 -1.968885142171e-02 1.115883711437e-02
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5*0.0 3.755430251785e-02 -5.531930623894e-03 0.0 2.593505242541e-02 -1.817744422309e-02 5*0.0 -3.218736023613e-02 4.057085052757e-03 0.0 -1.906081069562e-02 1.077138392479e-02
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5*0.0 3.569365791163e-02 -5.175819965554e-03 0.0 2.450401006173e-02 -1.703897082196e-02 5*0.0 -3.029870505228e-02 3.759260615428e-03 0.0 -1.785688094080e-02 1.003306848038e-02
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5*0.0 3.479220483784e-02 -5.005805201491e-03 0.0 2.381458251046e-02 -1.649440376150e-02 5*0.0 -2.938959870406e-02 3.618077903777e-03 0.0 -1.728021347477e-02 9.681534044296e-03
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5*0.0 3.304562095774e-02 -4.681123998951e-03 0.0 2.248620119652e-02 -1.545252493498e-02 5*0.0 -2.763970242112e-02 3.350367639026e-03 0.0 -1.617556795582e-02 9.012086459179e-03
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5*0.0 3.219992685222e-02 -4.526175284948e-03 0.0 2.184657536838e-02 -1.495440576867e-02 5*0.0 -2.679806858965e-02 3.223531823663e-03 0.0 -1.564684421647e-02 8.693544866755e-03
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5*0.0 3.137225774197e-02 -4.375972152405e-03 0.0 2.122288548028e-02 -1.447097609662e-02 5*0.0 -2.597808587341e-02 3.101177186693e-03 0.0 -1.513336527961e-02 8.385384260027e-03
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5*0.0 3.056233506239e-02 -4.230382107987e-03 0.0 2.061480665916e-02 -1.400185342702e-02 5*0.0 -2.517933890835e-02 2.983160161341e-03 0.0 -1.463477221890e-02 8.087307992111e-03
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5*0.0 2.976988163211e-02 -4.089275979078e-03 0.0 2.002201850748e-02 -1.354666352750e-02 5*0.0 -2.440141533711e-02 2.869341230603e-03 0.0 -1.415071172254e-02 7.799026268165e-03
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5*0.0 2.899462173191e-02 -3.952527839971e-03 0.0 1.944420510564e-02 -1.310504030055e-02 5*0.0 -2.364390599801e-02 2.759584831939e-03 0.0 -1.368083611083e-02 7.520256045074e-03
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5*0.0 2.823628118112e-02 -3.820014939659e-03 0.0 1.888105501196e-02 -1.267662565913e-02 5*0.0 -2.290640510300e-02 2.653759263533e-03 0.0 -1.322480334826e-02 7.250720930370e-03
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5*0.0 2.749458741153e-02 -3.691617630891e-03 0.0 1.833226126010e-02 -1.226106940232e-02 5*0.0 -2.218851040470e-02 2.551736592151e-03 0.0 -1.278227705043e-02 6.990151080500e-03
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5*0.0 2.676926953894e-02 -3.567219300870e-03 0.0 1.779752135448e-02 -1.185802909137e-02 5*0.0 -2.148982335296e-02 2.453392562555e-03 0.0 -1.235292648602e-02 6.738283098559e-03
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5*0.0 2.606005843212e-02 -3.446706303083e-03 0.0 1.727653726333e-02 -1.146716992581e-02 5*0.0 -2.080994924135e-02 2.358606508512e-03 0.0 -1.193642657398e-02 6.494859931612e-03
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5*0.0 2.536668677958e-02 -3.329967890714e-03 0.0 1.676901540965e-02 -1.108816462014e-02 5*0.0 -2.014849734371e-02 2.267261265355e-03 0.0 -1.153245787620e-02 6.259630767697e-03
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5*0.0 2.468888915384e-02 -3.216896151270e-03 0.0 1.627466666030e-02 -1.072069328087e-02 5*0.0 -1.950508104128e-02 2.179243084119e-03 0.0 -1.114070658594e-02 6.032350932620e-03
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5*0.0 2.402640207336e-02 -3.107385942551e-03 0.0 1.579320631297e-02 -1.036444328420e-02 5*0.0 -1.887931794061e-02 2.094441547237e-03 0.0 -1.076086451208e-02 5.812781786642e-03
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5*0.0 2.337896406209e-02 -3.001334829809e-03 0.0 1.532435408151e-02 -1.001910915405e-02 5*0.0 -1.827082998262e-02 2.012749485775e-03 0.0 -1.039262905954e-02 5.600690621144e-03
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5*0.0 2.274631570676e-02 -2.898643024344e-03 0.0 1.486783407918e-02 -9.684392441000e-03 5*0.0 -1.767924354299e-02 1.934062898226e-03 0.0 -1.003570320595e-02 5.395850555366e-03
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5*0.0 2.212819971174e-02 -2.799213323159e-03 0.0 1.442337480047e-02 -9.360001601682e-03 5*0.0 -1.710418952446e-02 1.858280870821e-03 0.0 -9.689795474895e-03 5.198040433304e-03
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5*0.0 2.152436095163e-02 -2.702951049901e-03 0.0 1.399070910107e-02 -9.045651879052e-03 5*0.0 -1.654530344095e-02 1.785305499378e-03 0.0 -9.354619905728e-03 5.007044720835e-03
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5*0.0 2.093454652143e-02 -2.609763996888e-03 0.0 1.356957417626e-02 -8.741065183455e-03 5*0.0 -1.600222549418e-02 1.715041812651e-03 0.0 -9.029896020354e-03 4.822653403167e-03
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5*0.0 2.035850578459e-02 -2.519562368472e-03 0.0 1.315971153784e-02 -8.445969974385e-03 5*0.0 -1.547460064269e-02 1.647397697187e-03 0.0 -8.715348786983e-03 4.644661882668e-03
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5*0.0 1.979599041855e-02 -2.432258725352e-03 0.0 1.276086698948e-02 -8.160101143275e-03 5*0.0 -1.496207866394e-02 1.582283823665e-03 0.0 -8.410708581108e-03 4.472870877153e-03
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5*0.0 1.924675445812e-02 -2.347767930110e-03 0.0 1.237279060075e-02 -7.883199897151e-03 5*0.0 -1.446431420936e-02 1.519613574717e-03 0.0 -8.115711143860e-03 4.307086318689e-03
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5*0.0 1.871055433646e-02 -2.266007093760e-03 0.0 1.199523667963e-02 -7.615013643191e-03 5*0.0 -1.398096685295e-02 1.459302974200e-03 0.0 -7.830097537876e-03 4.147119252983e-03
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5*0.0 1.818714892396e-02 -2.186895523481e-03 0.0 1.162796374386e-02 -7.355295874343e-03 5*0.0 -1.351170113347e-02 1.401270617928e-03 0.0 -7.553614100860e-03 3.992785739414e-03
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5*0.0 1.767629956469e-02 -2.110354671300e-03 0.0 1.127073449101e-02 -7.103806055923e-03 5*0.0 -1.305618659056e-02 1.345437605817e-03 0.0 -7.286012396974e-03 3.843906751754e-03
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5*0.0 1.717777011077e-02 -2.036308083838e-03 0.0 1.092331576719e-02 -6.860309513286e-03 5*0.0 -1.261409779510e-02 1.291727475466e-03 0.0 -7.027049166199e-03 3.700308079640e-03
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5*0.0 1.669132695438e-02 -1.964681353114e-03 0.0 1.058547853488e-02 -6.624577320549e-03 5*0.0 -1.218511437384e-02 1.240066137124e-03 0.0 -6.776486271811e-03 3.561820230841e-03
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5*0.0 1.621673905778e-02 -1.895402068282e-03 0.0 1.025699783941e-02 -6.396386190495e-03 5*0.0 -1.176892102882e-02 1.190381810049e-03 0.0 -6.534090646107e-03 3.428278334363e-03
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5*0.0 1.575377798093e-02 -1.828399768393e-03 0.0 9.937652774596e-03 -6.175518365488e-03 5*0.0 -1.136520755159e-02 1.142604960228e-03 0.0 -6.299634234505e-03 3.299522044441e-03
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5*0.0 1.530221790720e-02 -1.763605896113e-03 0.0 9.627226447204e-03 -5.961761509685e-03 5*0.0 -1.097366883257e-02 1.096668239455e-03 0.0 -6.072893938145e-03 3.175395445453e-03
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5*0.0 1.486183566684e-02 -1.700953752367e-03 0.0 9.325505940684e-03 -5.754908602281e-03 5*0.0 -1.059400486566e-02 1.052506425732e-03 0.0 -5.853651555116e-03 3.055746957792e-03
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5*0.0 1.443241075845e-02 -1.640378451914e-03 0.0 9.032282277869e-03 -5.554757832128e-03 5*0.0 -1.022592074849e-02 1.010056364997e-03 0.0 -5.641693720412e-03 2.940429244734e-03
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5*0.0 1.401372536838e-02 -1.581816879872e-03 0.0 8.747350382847e-03 -5.361112493373e-03 5*0.0 -9.869126678324e-03 9.692569141420e-04 0.0 -5.436811844747e-03 2.829299120332e-03
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5*0.0 1.360556438818e-02 -1.525207649096e-03 0.0 8.470509042164e-03 -5.173780882447e-03 5*0.0 -9.523337943948e-03 9.300488853082e-04 0.0 -5.238802052320e-03 2.722217458366e-03
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5*0.0 1.320771543004e-02 -1.470491058440e-03 0.0 8.201560865125e-03 -4.992576196323e-03 5*0.0 -9.188274913683e-03 8.923749914511e-04 0.0 -5.047465117641e-03 2.619049102373e-03
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5*0.0 1.281996884040e-02 -1.417609051947e-03 0.0 7.940312243585e-03 -4.817316431926e-03 5*0.0 -8.863663019733e-03 8.561797931402e-04 0.0 -4.862606401515e-03 2.519662776788e-03
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5*0.0 1.244211771155e-02 -1.366505178733e-03 0.0 7.686573310864e-03 -4.647824286904e-03 5*0.0 -8.549232739046e-03 8.214096465869e-04 0.0 -4.684035786277e-03 2.423930999211e-03
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5*0.0 1.207395789162e-02 -1.317124553959e-03 0.0 7.440157900381e-03 -4.483927061669e-03 5*0.0 -8.244719570867e-03 7.880126528757e-04 0.0 -4.511567610383e-03 2.331729993825e-03
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5*0.0 1.171528799253e-02 -1.269413820328e-03 0.0 7.200883503364e-03 -4.325456562653e-03 5*0.0 -7.949864011166e-03 7.559386083828e-04 0.0 -4.345020602415e-03 2.242939605987e-03
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5*0.0 1.136590939644e-02 -1.223321110665e-03 0.0 6.968571226389e-03 -4.172249007061e-03 5*0.0 -7.664411524096e-03 7.251389563621e-04 0.0 -4.184217814620e-03 2.157443217994e-03
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5*0.0 1.102562626037e-02 -1.178796011107e-03 0.0 6.743045748244e-03 -4.024144928669e-03 5*0.0 -7.388112510657e-03 6.955667396791e-04 0.0 -4.028986556034e-03 2.075127666060e-03
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5*0.0 1.069424551918e-02 -1.135789525068e-03 0.0 6.524135276443e-03 -3.880989085146e-03 5*0.0 -7.120722274726e-03 6.671765546747e-04 0.0 -3.879158325289e-03 1.995883158498e-03
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5*0.0 1.037157688708e-02 -1.094254038140e-03 0.0 6.311671503327e-03 -3.742630366604e-03 5*0.0 -6.862000986588e-03 6.399245061402e-04 0.0 -3.734568743154e-03 1.919603195126e-03
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5*0.0 1.005743285743e-02 -1.054143283530e-03 0.0 6.105489561809e-03 -3.608921705489e-03 5*0.0 -6.611713644150e-03 6.137681633819e-04 0.0 -3.595057484907e-03 1.846184487913e-03
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5*0.0 9.751628701168e-03 -1.015412308399e-03 0.0 5.905427980891e-03 -3.479719987850e-03 5*0.0 -6.369630031943e-03 5.886665173606e-04 0.0 -3.460468212586e-03 1.775526882854e-03
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5*0.0 9.453982463739e-03 -9.780174408418e-04 0.0 5.711328640856e-03 -3.354885965843e-03 5*0.0 -6.135524678087e-03 5.645799388823e-04 0.0 -3.330648507180e-03 1.707533283104e-03
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5*0.0 9.164314960599e-03 -9.419162575273e-04 0.0 5.523036728188e-03 -3.234284171600e-03 5*0.0 -5.909176809332e-03 5.414701378253e-04 0.0 -3.205449800845e-03 1.642109573355e-03
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5*0.0 8.882449771415e-03 -9.070675522370e-04 0.0 5.340400690456e-03 -3.117782832578e-03 5*0.0 -5.690370304306e-03 5.193001233817e-04 0.0 -3.084727309172e-03 1.579164545479e-03
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5*0.0 8.608213232930e-03 -8.734313048524e-04 0.0 5.163272190779e-03 -3.005253788000e-03 5*0.0 -5.478893645111e-03 4.980341652970e-04 0.0 -2.968339963586e-03 1.518609825420e-03
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5*0.0 8.341434430569e-03 -8.409686511662e-04 0.0 4.991506062464e-03 -2.896572406768e-03 5*0.0 -5.274539867369e-03 4.776377560873e-04 0.0 -2.856150343916e-03 1.460359801352e-03
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5*0.0 8.081945188809e-03 -8.096418533279e-04 0.0 4.824960263312e-03 -2.791617506751e-03 5*0.0 -5.077106508848e-03 4.580775742164e-04 0.0 -2.748024611187e-03 1.404331553090e-03
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5*0.0 7.829580060431e-03 -7.794142708323e-04 0.0 4.663495830022e-03 -2.690271275215e-03 5*0.0 -4.886395556776e-03 4.393214482143e-04 0.0 -2.643832440688e-03 1.350444782769e-03
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5*0.0 7.584176314580e-03 -7.502503323633e-04 0.0 4.506976832548e-03 -2.592419190826e-03 5*0.0 -4.702213393947e-03 4.213383217187e-04 0.0 -2.543446955352e-03 1.298621746767e-03
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5*0.0 7.345573923793e-03 -7.221155080489e-04 0.0 4.355270328320e-03 -2.497949946762e-03 5*0.0 -4.524370743737e-03 4.040982194212e-04 0.0 -2.446744659493e-03 1.248787188894e-03
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5*0.0 7.113615549963e-03 -6.949762824473e-04 0.0 4.208246316708e-03 -2.406755375207e-03 5*0.0 -4.352682614110e-03 3.875722139002e-04 0.0 -2.353605372941e-03 1.200868274814e-03
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5*0.0 6.888146529279e-03 -6.688001281285e-04 0.0 4.065777693366e-03 -2.318730373244e-03 5*0.0 -4.186968240730e-03 3.717323933232e-04 0.0 -2.263912165615e-03 1.154794527727e-03
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5*0.0 6.669014856279e-03 -6.435554797602e-04 0.0 3.927740204804e-03 -2.233772829867e-03 5*0.0 -4.027051029261e-03 3.565518299990e-04 0.0 -2.177551292562e-03 1.110497765278e-03
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5*0.0 6.456071166901e-03 -6.192117089361e-04 0.0 3.794012403038e-03 -2.151783554466e-03 5*0.0 -3.872758496946e-03 3.420045497651e-04 0.0 -2.094412129500e-03 1.067912037694e-03
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5*0.0 6.249168720721e-03 -5.957390994270e-04 0.0 3.664475600274e-03 -2.072666206452e-03 5*0.0 -3.723922213550e-03 3.280655021903e-04 0.0 -2.014387108894e-03 1.026973567158e-03
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5*0.0 6.048163382322e-03 -5.731088230615e-04 0.0 3.539013823910e-03 -1.996327226285e-03 5*0.0 -3.580377741753e-03 3.147105315767e-04 0.0 -1.937371656602e-03 9.876206883824e-04
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5*0.0 5.852913601830e-03 -5.512929161671e-04 0.0 3.417513771588e-03 -1.922675767667e-03 5*0.0 -3.441964577067e-03 3.019163487436e-04 0.0 -1.863264129100e-03 9.497937903977e-04
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5*0.0 5.663280394769e-03 -5.302642564857e-04 0.0 3.299864766639e-03 -1.851623631037e-03 5*0.0 -3.308526087348e-03 2.896605035770e-04 0.0 -1.791965751333e-03 9.134352595348e-04
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5*0.0 5.479127321110e-03 -5.099965407146e-04 0.0 3.185958713512e-03 -1.783085198297e-03 5*0.0 -3.179909451991e-03 2.779213583273e-04 0.0 -1.723380555200e-03 8.784894235930e-04
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5*0.0 5.300320463661e-03 -4.904642624819e-04 0.0 3.075690053640e-03 -1.716977368783e-03 5*0.0 -3.055965600856e-03 2.666780616403e-04 0.0 -1.657415318702e-03 8.449024971845e-04
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5*0.0 5.126728405800e-03 -4.716426908877e-04 0.0 2.968955721507e-03 -1.653219496492e-03 5*0.0 -2.936549153005e-03 2.559105233026e-04 0.0 -1.593979505767e-03 8.126225282426e-04
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5*0.0 4.958222208530e-03 -4.535078495188e-04 0.0 2.865655100975e-03 -1.591733328450e-03 5*0.0 -2.821518355312e-03 2.455993896894e-04 0.0 -1.532985206785e-03 7.815993456825e-04
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5*0.0 4.794675387068e-03 -4.360364959591e-04 0.0 2.765689981953e-03 -1.532442944292e-03 5*0.0 -2.710735020991e-03 2.357260198947e-04 0.0 -1.474347079844e-03 7.517845082024e-04
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5*0.0 4.635963886748e-03 -4.192061017909e-04 0.0 2.668964517341e-03 -1.475274697088e-03 5*0.0 -2.604064468122e-03 2.262724625318e-04 0.0 -1.417982292717e-03 7.231312542125e-04
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5*0.0 4.481966058462e-03 -4.029948330691e-04 0.0 2.575385180372e-03 -1.420157155309e-03 5*0.0 -2.501375458211e-03 2.172214331865e-04 0.0 -1.363810465576e-03 6.955944528793e-04
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5*0.0 4.332562633597e-03 -3.873815312039e-04 0.0 2.484860722139e-03 -1.367021045912e-03 5*0.0 -2.402540134840e-03 2.085562925098e-04 0.0 -1.311753614482e-03 6.691305562703e-04
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5*0.0 4.187636698483e-03 -3.723456944085e-04 0.0 2.397302129647e-03 -1.315799198627e-03 5*0.0 -2.307433962462e-03 2.002610249335e-04 0.0 -1.261736095636e-03 6.436975525880e-04
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5*0.0 4.047073668487e-03 -3.578674595242e-04 0.0 2.312622584214e-03 -1.266426491376e-03 5*0.0 -2.215935665380e-03 1.923202179953e-04 0.0 -1.213684550413e-03 6.192549204768e-04
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5*0.0 3.910761261608e-03 -3.439275842252e-04 0.0 2.230737420078e-03 -1.218839796760e-03 5*0.0 -2.127927166959e-03 1.847190422583e-04 0.0 -1.167527851188e-03 5.957635843903e-04
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5*0.0 3.778589471762e-03 -3.305074297699e-04 0.0 2.151564083560e-03 -1.172977929692e-03 5*0.0 -2.043293529105e-03 1.774432318119e-04 0.0 -1.123197047956e-03 5.731858710042e-04
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|
||||
5*0.0 2.889878702843e-05 1.558484475626e-06 0.0 -5.869594294395e-06 2.702975058565e-05 5*0.0 -3.842617159886e-05 -5.929290366742e-06 0.0 2.912437008293e-05 -4.175105158084e-05
|
||||
5*0.0 2.809680425296e-05 1.616786063304e-06 0.0 -6.448570719518e-06 2.704728385845e-05 5*0.0 -3.678250468800e-05 -5.997848899109e-06 0.0 2.993377593010e-05 -4.149839498749e-05
|
||||
5*0.0 2.730422160817e-05 1.673114270022e-06 0.0 -7.013680810722e-06 2.705087581672e-05 5*0.0 -3.515110801539e-05 -6.062574424617e-06 0.0 3.071876405683e-05 -4.123052097781e-05
|
||||
5*0.0 2.652067849117e-05 1.727501677261e-06 0.0 -7.565109729583e-06 2.704080447359e-05 5*0.0 -3.353237798856e-05 -6.123518598522e-06 0.0 3.147941730716e-05 -4.094779051694e-05
|
||||
5*0.0 2.574584263505e-05 1.779979851549e-06 0.0 -8.103033724883e-06 2.701734489665e-05 5*0.0 -3.192670384749e-05 -6.180733476605e-06 0.0 3.221582598388e-05 -4.065056392013e-05
|
||||
5*0.0 2.497940865222e-05 1.830579394739e-06 0.0 -8.627620695395e-06 2.698076929586e-05 5*0.0 -3.033446719333e-05 -6.234271494981e-06 0.0 3.292808781927e-05 -4.033920074176e-05
|
||||
5*0.0 2.422109666273e-05 1.879330028883e-06 0.0 -9.139030813099e-06 2.693134718007e-05 5*0.0 -2.875604155414e-05 -6.284185449195e-06 0.0 3.361630793259e-05 -4.001405966394e-05
|
||||
5*0.0 2.347065094383e-05 1.926260648500e-06 0.0 -9.637417094662e-06 2.686934547726e-05 5*0.0 -2.719179198584e-05 -6.330528472702e-06 0.0 3.428059877486e-05 -3.967549838496e-05
|
||||
5*0.0 2.272783864805e-05 1.971399382471e-06 0.0 -1.012292593815e-05 2.679502865456e-05 5*0.0 -2.564207470712e-05 -6.373354014806e-06 0.0 3.492108006202e-05 -3.932387350766e-05
|
||||
5*0.0 2.199244856114e-05 2.014773650019e-06 0.0 -1.059569765893e-05 2.670865881252e-05 5*0.0 -2.410723676662e-05 -6.412715818135e-06 0.0 3.553787869702e-05 -3.895954042817e-05
|
||||
5*0.0 2.126428991720e-05 2.056410199785e-06 0.0 -1.105586694832e-05 2.661049579720e-05 5*0.0 -2.258761574129e-05 -6.448667895734e-06 0.0 3.613112868155e-05 -3.858285322509e-05
|
||||
5*0.0 2.054319123242e-05 2.096335209444e-06 0.0 -1.150356337696e-05 2.650079726771e-05 5*0.0 -2.108353946425e-05 -6.481264507839e-06 0.0 3.670097101836e-05 -3.819416454940e-05
|
||||
5*0.0 1.982899923538e-05 2.134574257521e-06 0.0 -1.193891181362e-05 2.637981878164e-05 5*0.0 -1.959532578105e-05 -6.510560138402e-06 0.0 3.724755360445e-05 -3.779382551524e-05
|
||||
5*0.0 1.912157779058e-05 2.171152418142e-06 0.0 -1.236203284772e-05 2.624781386569e-05 5*0.0 -1.812328233301e-05 -6.536609471426e-06 0.0 3.777103111610e-05 -3.738218559178e-05
|
||||
5*0.0 1.842080687171e-05 2.206094280504e-06 0.0 -1.277304318937e-05 2.610503407165e-05 5*0.0 -1.666770636634e-05 -6.559467367175e-06 0.0 3.827156488624e-05 -3.695959249633e-05
|
||||
5*0.0 1.772658160806e-05 2.239423999953e-06 0.0 -1.317205603745e-05 2.595172903777e-05 5*0.0 -1.522888456595e-05 -6.579188838298e-06 0.0 3.874932277463e-05 -3.652639208885e-05
|
||||
5*0.0 1.703881133879e-05 2.271165314222e-06 0.0 -1.355918141475e-05 2.578814651872e-05 5*0.0 -1.380709291273e-05 -6.595829025945e-06 0.0 3.920447903169e-05 -3.608292826804e-05
|
||||
5*0.0 1.635741868863e-05 2.301341627028e-06 0.0 -1.393452658912e-05 2.561453249293e-05 5*0.0 -1.240259656324e-05 -6.609443175895e-06 0.0 3.963721415620e-05 -3.562954286901e-05
|
||||
5*0.0 1.568233874793e-05 2.329975946803e-06 0.0 -1.429819626934e-05 2.543113109089e-05 5*0.0 -1.101564975066e-05 -6.620086614760e-06 0.0 4.004771474768e-05 -3.516657556291e-05
|
||||
5*0.0 1.501351820796e-05 2.357091005981e-06 0.0 -1.465029293773e-05 2.523818466489e-05 5*0.0 -9.646495706064e-06 -6.627814726302e-06 0.0 4.043617335375e-05 -3.469436375834e-05
|
||||
5*0.0 1.435091459140e-05 2.382709238311e-06 0.0 -1.499091717814e-05 2.503593388363e-05 5*0.0 -8.295366598880e-06 -6.632682927897e-06 0.0 4.080278831303e-05 -3.421324250487e-05
|
||||
5*0.0 1.369449547995e-05 2.406852817704e-06 0.0 -1.532016789324e-05 2.482461767138e-05 5*0.0 -6.962483495726e-06 -6.634746647194e-06 0.0 4.114776359404e-05 -3.372354439870e-05
|
||||
5*0.0 1.304423778842e-05 2.429543678683e-06 0.0 -1.563814255273e-05 2.460447326230e-05 5*0.0 -5.648056336539e-06 -6.634061298995e-06 0.0 4.147130863049e-05 -3.322559949040e-05
|
||||
5*0.0 1.240012707042e-05 2.450803537972e-06 0.0 -1.594493743361e-05 2.437573618716e-05 5*0.0 -4.352283927186e-06 -6.630682262385e-06 0.0 4.177363815346e-05 -3.271973519514e-05
|
||||
5*0.0 1.176215685367e-05 2.470653914669e-06 0.0 -1.624064782698e-05 2.413864029650e-05 5*0.0 -3.075353947641e-06 -6.624664858149e-06 0.0 4.205497202072e-05 -3.220627620513e-05
|
||||
5*0.0 1.113032799816e-05 2.489116131812e-06 0.0 -1.652536822587e-05 2.389341775192e-05 5*0.0 -1.817442974906e-06 -6.616064326505e-06 0.0 4.231553504373e-05 -3.168554440453e-05
|
||||
5*0.0 1.050464808015e-05 2.506211378325e-06 0.0 -1.679919254203e-05 2.364029906605e-05 5*0.0 -5.787165198560e-07 -6.604935805162e-06 0.0 4.255555681261e-05 -3.115785878688e-05
|
||||
5*0.0 9.885130828869e-06 2.521960675354e-06 0.0 -1.706221428049e-05 2.337951303948e-05 5*0.0 6.406709227773e-07 -6.591334307747e-06 0.0 4.277527151939e-05 -3.062353537504e-05
|
||||
5*0.0 9.271795566688e-06 2.536384901941e-06 0.0 -1.731452663542e-05 2.311128679446e-05 5*0.0 1.840575812026e-06 -6.575314702605e-06 0.0 4.297491777992e-05 -3.008288714369e-05
|
||||
5*0.0 8.664666673335e-06 2.549504817597e-06 0.0 -1.755622270048e-05 2.283584575932e-05 5*0.0 3.020865486647e-06 -6.556931692002e-06 0.0 4.315473845476e-05 -2.953622394448e-05
|
||||
5*0.0 8.063773085995e-06 2.561341068922e-06 0.0 -1.778739559453e-05 2.255341365980e-05 5*0.0 4.181418080126e-06 -6.536239791744e-06 0.0 4.331498046926e-05 -2.898385243381e-05
|
||||
5*0.0 7.469147817186e-06 2.571914195736e-06 0.0 -1.800813855416e-05 2.226421249720e-05 5*0.0 5.322122425382e-06 -6.513293311222e-06 0.0 4.345589463324e-05 -2.842607600328e-05
|
||||
5*0.0 6.880827501103e-06 2.581244645182e-06 0.0 -1.821854509666e-05 2.196846254407e-05 5*0.0 6.442877949839e-06 -6.488146333913e-06 0.0 4.357773546042e-05 -2.786319471289e-05
|
||||
5*0.0 6.298851958113e-06 2.589352775133e-06 0.0 -1.841870909860e-05 2.166638234905e-05 5*0.0 7.543594561484e-06 -6.460852698329e-06 0.0 4.368076098794e-05 -2.729550522683e-05
|
||||
5*0.0 5.723263782830e-06 2.596258871296e-06 0.0 -1.860872487575e-05 2.135818865520e-05 5*0.0 8.624192526502e-06 -6.431465979445e-06 0.0 4.376523259612e-05 -2.672330075216e-05
|
||||
5*0.0 5.154107948643e-06 2.601983124478e-06 0.0 -1.878868730841e-05 2.104409643689e-05 5*0.0 9.684602339073e-06 -6.400039470600e-06 0.0 4.383141482880e-05 -2.614687098003e-05
|
||||
5*0.0 4.591431439720e-06 2.606545672357e-06 0.0 -1.895869187885e-05 2.072431888259e-05 5*0.0 1.072476458389e-05 -6.366626165889e-06 0.0 4.387957521437e-05 -2.556650202983e-05
|
||||
5*0.0 4.035282903094e-06 2.609966583090e-06 0.0 -1.911883476603e-05 2.039906734353e-05 5*0.0 1.174462979192e-05 -6.331278743048e-06 0.0 4.390998408772e-05 -2.498247639587e-05
|
||||
5*0.0 3.485712310213e-06 2.612265862508e-06 0.0 -1.926921289916e-05 2.006855132758e-05 5*0.0 1.274415828993e-05 -6.294049546841e-06 0.0 4.392291441337e-05 -2.439507289695e-05
|
||||
5*0.0 2.942770652992e-06 2.613463442090e-06 0.0 -1.940992399269e-05 1.973297846395e-05 5*0.0 1.372332004424e-05 -6.254990572956e-06 0.0 4.391864160985e-05 -2.380456662856e-05
|
||||
5*0.0 2.406509609440e-06 2.613579239893e-06 0.0 -1.954106664418e-05 1.939255451982e-05 5*0.0 1.468209449925e-05 -6.214153452405e-06 0.0 4.389744337557e-05 -2.321122891776e-05
|
||||
5*0.0 1.876981320487e-06 2.612633078726e-06 0.0 -1.966274033102e-05 1.904748333740e-05 5*0.0 1.562047041105e-05 -6.171589436445e-06 0.0 4.385959951632e-05 -2.261532728084e-05
|
||||
5*0.0 1.354238088269e-06 2.610644732503e-06 0.0 -1.977504540450e-05 1.869796676969e-05 5*0.0 1.653844567674e-05 -6.127349382004e-06 0.0 4.380539177453e-05 -2.201712538354e-05
|
||||
5*0.0 8.383321377883e-07 2.607633930276e-06 0.0 -1.987808322693e-05 1.834420477658e-05 5*0.0 1.743602715972e-05 -6.081483737633e-06 0.0 4.373510366046e-05 -2.141688300397e-05
|
||||
5*0.0 3.293153821629e-07 2.603620344501e-06 0.0 -1.997195610826e-05 1.798639529824e-05 5*0.0 1.831323051134e-05 -6.034042529969e-06 0.0 4.364902028544e-05 -2.081485599816e-05
|
||||
5*0.0 -1.727607942340e-07 2.598623593766e-06 0.0 -2.005676734891e-05 1.762473426819e-05 5*0.0 1.917007998946e-05 -5.985075350716e-06 0.0 4.354742819724e-05 -2.021129626817e-05
|
||||
5*0.0 -6.678457403250e-07 2.592663242068e-06 0.0 -2.013262125271e-05 1.725941558164e-05 5*0.0 2.000660827408e-05 -5.934631344139e-06 0.0 4.343061521771e-05 -1.960645173281e-05
|
||||
5*0.0 -1.155889728074e-06 2.585758798657e-06 0.0 -2.019962311005e-05 1.689063109906e-05 5*0.0 2.082285628053e-05 -5.882759195072e-06 0.0 4.329887028287e-05 -1.900056630081e-05
|
||||
5*0.0 -1.636844139892e-06 2.577929712092e-06 0.0 -2.025787926397e-05 1.651857053818e-05 5*0.0 2.161887297045e-05 -5.829507117440e-06 0.0 4.315248328537e-05 -1.839387984658e-05
|
||||
5*0.0 -2.110661619256e-06 2.569195374587e-06 0.0 -2.030749701816e-05 1.614342156357e-05 5*0.0 2.239471516098e-05 -5.774922843282e-06 0.0 4.299174491956e-05 -1.778662818841e-05
|
||||
5*0.0 -2.577296233958e-06 2.559575117144e-06 0.0 -2.034858470072e-05 1.576536969154e-05 5*0.0 2.315044733236e-05 -5.719053612285e-06 0.0 4.281694652920e-05 -1.717904306906e-05
|
||||
5*0.0 -3.036703617852e-06 2.549088206772e-06 0.0 -2.038125162372e-05 1.538459828091e-05 5*0.0 2.388614143432e-05 -5.661946161809e-06 0.0 4.262837995787e-05 -1.657135213878e-05
|
||||
5*0.0 -3.488841098828e-06 2.537753844668e-06 0.0 -2.040560808635e-05 1.500128852762e-05 5*0.0 2.460187669143e-05 -5.603646717419e-06 0.0 4.242633740215e-05 -1.596377894066e-05
|
||||
5*0.0 -3.933667824133e-06 2.525591163006e-06 0.0 -2.042176534140e-05 1.461561941703e-05 5*0.0 2.529773940782e-05 -5.544200983892e-06 0.0 4.221111126763e-05 -1.535654289832e-05
|
||||
5*0.0 -4.371144868349e-06 2.512619222264e-06 0.0 -2.042983558747e-05 1.422776771983e-05 5*0.0 2.597382277134e-05 -5.483654136723e-06 0.0 4.198299402786e-05 -1.474985930580e-05
|
||||
5*0.0 -4.801235334365e-06 2.498857009275e-06 0.0 -2.042993194374e-05 1.383790796813e-05 5*0.0 2.663022665754e-05 -5.422050814100e-06 0.0 4.174227808618e-05 -1.414393931979e-05
|
||||
5*0.0 -5.223904449963e-06 2.484323428816e-06 0.0 -2.042216843159e-05 1.344621242842e-05 5*0.0 2.726705743362e-05 -5.359435109356e-06 0.0 4.148925564052e-05 -1.353898995389e-05
|
||||
5*0.0 -5.639119643293e-06 2.469037314902e-06 0.0 -2.040665993024e-05 1.305285111515e-05 5*0.0 2.788442776263e-05 -5.295850563884e-06 0.0 4.122421855132e-05 -1.293521407514e-05
|
||||
5*0.0 -6.046850615149e-06 2.453017391339e-06 0.0 -2.038352215343e-05 1.265799168314e-05 5*0.0 2.848245640799e-05 -5.231340160511e-06 0.0 4.094745821235e-05 -1.233281040257e-05
|
||||
Spline
|
||||
47 4.2
|
||||
2.14182700157814 3.910645070270616 -0.6376116569276089
|
||||
1.2 1.24 3.183161 -8.183434043499004 8.763749999999973 1.521277186882188
|
||||
1.24 1.28 2.869943 -7.47503191300197 8.946303262425836 -7.606385934410913
|
||||
1.28 1.32 2.584769 -6.795838304493076 8.033536950296526 -4.720733449241128
|
||||
1.32 1.36 2.325487 -6.175814869025711 7.46704893638759 -5.08880526861812
|
||||
1.36 1.4 2.090076 -5.602877219404069 6.856392304153415 -4.58029547630343
|
||||
1.4 1.44 1.876638 -5.076351253358055 6.306756846997006 -4.340012826138055
|
||||
1.44 1.48 1.683397 -4.592642767163757 5.785955307860439 -4.044028219159564
|
||||
1.48 1.52 1.50869 -4.149177677986888 5.300671921561291 -3.765124297228162
|
||||
1.52 1.56 1.350963 -3.743196520888679 4.848857005893911 -3.520474591918862
|
||||
1.56 1.6 1.208768 -3.372186238458377 4.426400054863647 -3.262352335105164
|
||||
1.6 1.64 1.080754 -3.03373352527779 4.034917774651027 -3.039491067664723
|
||||
1.64 1.68 0.965666 -2.725529660430499 3.670178846531262 -2.798433394219362
|
||||
1.68 1.72 0.8623379999999999 -2.445347833000251 3.334366839224938 -2.610525355463793
|
||||
1.72 1.76 0.769692 -2.191129007568482 3.021103796569283 -2.384465183930371
|
||||
1.76 1.8 0.686728 -1.960886136725805 2.734967974497638 -2.226613908811724
|
||||
1.8 1.84 0.612526 -1.75277644552829 2.467774305440231 -2.021579180823861
|
||||
1.84 1.88 0.546234 -1.565058081161026 2.225184803741367 -1.858944367897328
|
||||
1.88 1.92 0.487073 -1.395966229827625 2.002111479593689 -1.714518347575959
|
||||
1.92 1.96 0.434328 -1.244026999528494 1.796369277884574 -1.548607241804597
|
||||
1.96 2 0.387342 -1.10775077205839 1.610536408868022 -1.419177685206799
|
||||
2 2.04 0.345518 -0.9857199122379406 1.440235086643206 -1.290307017366605
|
||||
2.04 2.08 0.308311 -0.8766945789898438 1.285398244559213 -1.153969245327123
|
||||
2.08 2.12 0.275226 -0.7794017718026769 1.146921935119958 -1.06256600132579
|
||||
2.12 2.16 0.245817 -0.692748333799444 1.019414014960863 -0.9395167493687286
|
||||
2.16 2.2 0.219678 -0.6157048929995448 0.9066720050366157 -0.8512420011996658
|
||||
2.2 2.24 0.196446 -0.5472570942023738 0.8045229648926557 -0.764890245832555
|
||||
2.24 2.28 0.175794 -0.4865667301909576 0.712736135392749 -0.6673220154728888
|
||||
2.28 2.32 0.157429 -0.432750985033808 0.6326574935360032 -0.6126966922701338
|
||||
2.32 2.36 0.141092 -0.3850793296738244 0.5591338904635871 -0.5225162154492337
|
||||
2.36 2.4 0.12655 -0.3428566962708937 0.496431944609679 -0.4847384459330986
|
||||
2.4 2.44 0.113599 -0.3054688852425982 0.4382633310977071 -0.3979050008188125
|
||||
2.44 2.48 0.102056 -0.2723177627587119 0.3905147309994496 -0.3767665507910639
|
||||
2.48 2.52 0.091764 -0.2428850637225531 0.3453027449045218 -0.3137787960172247
|
||||
2.52 2.56 0.082581 -0.2167669823510739 0.3076492893824548 -0.2743682651399619
|
||||
2.56 2.6 0.07438500000000001 -0.1934720068731494 0.2747250975656594 -0.2449981434230699
|
||||
2.6 2.64 0.06707 -0.1726699901563273 0.245325320354891 -0.2143891611678028
|
||||
2.64 2.68 0.06054199999999999 -0.1540730325015415 0.2195986210147546 -0.1786952119052645
|
||||
2.68 2.72 0.054719 -0.1373628798375064 0.1981551955861229 -0.1645799912114841
|
||||
2.72 2.76 0.049531 -0.1223004481484317 0.1784055966407447 -0.147359823249545
|
||||
2.76 2.8 0.044915 -0.10873532756877 0.1607224178507995 -0.1209807157886513
|
||||
2.8 2.84 0.040815 -0.09645824157649159 0.1462047319561613 -0.118717313596681
|
||||
2.84 2.88 0.037183 -0.08533170612526275 0.1319586543245596 -0.09165002982477297
|
||||
2.88 2.92 0.033975 -0.07521493392245687 0.1209606507455868 -0.1240575671040724
|
||||
2.92 2.96 0.031152 -0.06613355818490947 0.1060737426930981 -0.005869701758987617
|
||||
2.96 3 0.028676 -0.05767583333790475 0.1053693784820196 -0.3993386258599809
|
||||
3 3.48 0.026512 -0.05116310846347108 0.05744874337882189 -0.0378860895183598
|
||||
3.48 4.2 0.011 -0.02219917989489236 0.002892774472383781 -0.04982849395982349 0.1549147493566653 -0.1010347179135954
|
||||
600
tests/DFTB/scc/cp.spl
Normal file
600
tests/DFTB/scc/cp.spl
Normal file
|
|
@ -0,0 +1,600 @@
|
|||
0.02, 500,
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
3*0.0 3.109175478533e-01 3.172728714508e-01 -6.220668127511e-01 -2.943909509384e-01 1.351577735464e-01 8.361808509078e-01 -1.127806755305e+00 3*0.0 -2.827494805180e-01 -2.568771290674e-01 7.447986321684e-01 7.637494933118e-01 1.162492679071e-02 -2.552750799445e-01 8.386692312473e-01
|
||||
3*0.0 3.169203078196e-01 3.280197125282e-01 -6.446167103004e-01 -3.105450933879e-01 1.396560978791e-01 8.040889696766e-01 -1.102986027095e+00 3*0.0 -2.940720379279e-01 -2.684350939341e-01 7.408032852477e-01 7.627534271348e-01 1.323263770607e-02 -2.640504587195e-01 8.347189331369e-01
|
||||
3*0.0 3.220319978412e-01 3.382224609957e-01 -6.647084173764e-01 -3.261981073900e-01 1.435087188608e-01 7.713147937026e-01 -1.076552338959e+00 3*0.0 -3.050276904202e-01 -2.798193706439e-01 7.364296349283e-01 7.616577416771e-01 1.497562732932e-02 -2.725314169080e-01 8.306137260108e-01
|
||||
3*0.0 3.262797651641e-01 3.478860290217e-01 -6.823390289074e-01 -3.413081693874e-01 1.467144479502e-01 7.383101922557e-01 -1.049009351370e+00 3*0.0 -3.156078837807e-01 -2.910246565425e-01 7.316696136431e-01 7.604588013452e-01 1.685692185162e-02 -2.807378758570e-01 8.263711247827e-01
|
||||
3*0.0 3.296923305461e-01 3.570164937945e-01 -6.975263417791e-01 -3.558407765049e-01 1.492770578890e-01 7.054597584565e-01 -1.020796774970e+00 3*0.0 -3.258048822176e-01 -3.020459450430e-01 7.265168107073e-01 7.591532749566e-01 1.887907002581e-02 -2.886893232469e-01 8.220083665213e-01
|
||||
3*0.0 3.322996183506e-01 3.656210344225e-01 -7.103051898426e-01 -3.697679594110e-01 1.512045145326e-01 6.730879682518e-01 -9.922943868951e-01 3*0.0 -3.356117499097e-01 -3.128785224830e-01 7.209664348458e-01 7.577381404230e-01 2.104414470213e-02 -2.964046297868e-01 8.175422141869e-01
|
||||
3*0.0 3.341329687668e-01 3.737078725355e-01 -7.207244449810e-01 -3.830677386466e-01 1.525085763280e-01 6.414659103013e-01 -9.638266256093e-01 3*0.0 -3.450223313960e-01 -3.235179644377e-01 7.150152661178e-01 7.562106866996e-01 2.335374778346e-02 -3.039019019966e-01 8.129887973711e-01
|
||||
3*0.0 3.352247539825e-01 3.812860451319e-01 -7.288459862449e-01 -3.957235151945e-01 1.532038525998e-01 6.108166224648e-01 -9.356679773286e-01 3*0.0 -3.540312310340e-01 -3.339601315624e-01 7.086615993849e-01 7.545685133582e-01 2.580901804992e-02 -3.111983669598e-01 8.083634862607e-01
|
||||
3*0.0 3.356074104801e-01 3.883651945176e-01 -7.347418953907e-01 -4.077233512630e-01 1.533079033161e-01 5.813196304287e-01 -9.080474153346e-01 3*0.0 -3.626337917237e-01 -3.442011650328e-01 7.019051812026e-01 7.528095281106e-01 2.841064137561e-02 -3.183102851923e-01 8.036807951214e-01
|
||||
3*0.0 3.353144194593e-01 3.949560090615e-01 -7.384934442320e-01 -4.190598467741e-01 1.528402470762e-01 5.531172140486e-01 -8.811538276393e-01 3*0.0 -3.708260730667e-01 -3.542374816394e-01 6.947471417686e-01 7.509319425774e-01 3.115886292791e-02 -3.252528880660e-01 7.989543117396e-01
|
||||
3*0.0 3.343805810934e-01 4.010695469078e-01 -7.401894517516e-01 -4.297292865308e-01 1.518215733636e-01 5.263194381152e-01 -8.551404067846e-01 3*0.0 -3.786048291047e-01 -3.640657685896e-01 6.871899233353e-01 7.489342665736e-01 3.405350100018e-02 -3.320403365131e-01 7.941966494712e-01
|
||||
3*0.0 3.328397985739e-01 4.067169334469e-01 -7.399220000421e-01 -4.397310285897e-01 1.502745081912e-01 5.010070425049e-01 -8.301275553153e-01 3*0.0 -3.859674857658e-01 -3.736829780633e-01 6.792372062885e-01 7.468153011491e-01 3.709396218106e-02 -3.386856980293e-01 7.894194187793e-01
|
||||
3*0.0 3.307248448499e-01 4.119102465523e-01 -7.377854064659e-01 -4.490678461041e-01 1.482232790763e-01 4.772356994237e-01 -8.062071624560e-01 3*0.0 -3.929121181277e-01 -3.830863215633e-01 6.708938339121e-01 7.445741306020e-01 4.027925760745e-02 -3.452009392762e-01 7.846332154016e-01
|
||||
3*0.0 3.280692855686e-01 4.166621077819e-01 -7.338778400985e-01 -4.577453278587e-01 1.456924670420e-01 4.550402369971e-01 -7.834467911179e-01 3*0.0 -3.994374275954e-01 -3.922732640963e-01 6.621657366937e-01 7.422101136543e-01 4.360802008460e-02 -3.515969318497e-01 7.798476225493e-01
|
||||
3*0.0 3.249078339773e-01 4.209848658182e-01 -7.283008621960e-01 -4.657709550695e-01 1.427065746921e-01 4.344372018452e-01 -7.618926262310e-01 3*0.0 -4.055427190791e-01 -4.012415182186e-01 6.530598568828e-01 7.397228739620e-01 4.707852188517e-02 -3.578834690416e-01 7.750712247958e-01
|
||||
3*0.0 3.212746803946e-01 4.248910602866e-01 -7.211569686441e-01 -4.731542358825e-01 1.392903580042e-01 4.154269881516e-01 -7.415723196592e-01 3*0.0 -4.112278782466e-01 -4.099890379742e-01 6.435840738854e-01 7.371122901057e-01 5.068869306267e-02 -3.640692916530e-01 7.703116315674e-01
|
||||
3*0.0 3.172020901000e-01 4.283937832667e-01 -7.125476920128e-01 -4.799068026579e-01 1.354692941072e-01 3.979957862965e-01 -7.224975431472e-01 3*0.0 -4.164933489183e-01 -4.185140127522e-01 6.337471309698e-01 7.343784851955e-01 5.443614013229e-02 -3.701621211485e-01 7.655755083841e-01
|
||||
3*0.0 3.127206176653e-01 4.315061623139e-01 -7.025733310792e-01 -4.860417556511e-01 1.312696255822e-01 3.821173009117e-01 -7.046659600421e-01 3*0.0 -4.213401106625e-01 -4.268148610861e-01 6.235585636620e-01 7.315218162022e-01 5.831816498694e-02 -3.761686986379e-01 7.608686142215e-01
|
||||
3*0.0 3.078603859383e-01 4.342411468465e-01 -6.913336712914e-01 -4.915732285374e-01 1.267176386344e-01 3.677551152058e-01 -6.880634902102e-01 3*0.0 -4.257696566422e-01 -4.348902244171e-01 6.130286301262e-01 7.285428631143e-01 6.233178392773e-02 -3.820948283657e-01 7.561958435728e-01
|
||||
3*0.0 3.026520971655e-01 4.366118871834e-01 -6.789283590362e-01 -4.965165264153e-01 1.218387182787e-01 3.548655586167e-01 -6.726668983213e-01 3*0.0 -4.297839717592e-01 -4.427389608394e-01 6.021682437588e-01 7.254424180061e-01 6.647374669813e-02 -3.879454245576e-01 7.515612719772e-01
|
||||
3*0.0 2.971269247807e-01 4.386317843929e-01 -6.654560405997e-01 -5.008880908420e-01 1.166571037754e-01 3.433996919928e-01 -6.584456136606e-01 3*0.0 -4.333855111321e-01 -4.503601388439e-01 5.909889081607e-01 7.222214740898e-01 7.074055541985e-02 -3.937245606304e-01 7.469682039542e-01
|
||||
3*0.0 2.913193143040e-01 4.403139790505e-01 -6.510181827675e-01 -5.047050399569e-01 1.111944841426e-01 3.333031588753e-01 -6.453656386814e-01 3*0.0 -4.365771789410e-01 -4.577530310763e-01 5.795026546075e-01 7.188812148141e-01 7.512848333656e-02 -3.994355199116e-01 7.424192224384e-01
|
||||
3*0.0 2.852486828730e-01 4.416711295149e-01 -6.356905898922e-01 -5.079845537076e-01 1.054789137971e-01 3.245202240298e-01 -6.333766930129e-01 3*0.0 -4.393623076644e-01 -4.649171081228e-01 5.677219820914e-01 7.154230030618e-01 7.963359327980e-02 -4.050808471430e-01 7.379162389477e-01
|
||||
3*0.0 2.789455345289e-01 4.427161619351e-01 -6.195683911189e-01 -5.107450116325e-01 9.953258371472e-02 3.169871750680e-01 -6.224343685682e-01 3*0.0 -4.417446377301e-01 -4.718520323339e-01 5.556597999771e-01 7.118483704903e-01 8.425175577935e-02 -4.106624001532e-01 7.334605438416e-01
|
||||
3*0.0 2.724347511108e-01 4.434617415720e-01 -6.027382778193e-01 -5.130048730247e-01 9.337757804578e-02 3.106393254615e-01 -6.124888675621e-01 3*0.0 -4.437282975947e-01 -4.785576516990e-01 5.433293732853e-01 7.081590070528e-01 8.897866674861e-02 -4.161814011882e-01 7.290528561356e-01
|
||||
3*0.0 2.657403817469e-01 4.439204526889e-01 -5.852833162959e-01 -5.147827639460e-01 8.703544811741e-02 3.054108318237e-01 -6.034879665093e-01 3*0.0 -4.453177842630e-01 -4.850339937781e-01 5.307442705937e-01 7.043567507296e-01 9.380986468408e-02 -4.216384874743e-01 7.246933724344e-01
|
||||
3*0.0 2.588861365020e-01 4.441047302723e-01 -5.672822879693e-01 -5.160974071076e-01 8.052745704663e-02 3.012356540111e-01 -5.953776193484e-01 3*0.0 -4.465179442537e-01 -4.912812597009e-01 5.179183145279e-01 7.004435774946e-01 9.874074732651e-02 -4.270337606676e-01 7.203818146297e-01
|
||||
3*0.0 2.518951849073e-01 4.440267747567e-01 -5.488098682119e-01 -5.169675790835e-01 7.387439630286e-02 2.980479455717e-01 -5.881028031413e-01 3*0.0 -4.473339550157e-01 -4.972998182385e-01 5.048655348010e-01 6.964215915361e-01 1.037665877402e-01 -4.323668349150e-01 7.161174760817e-01
|
||||
3*0.0 2.447895925036e-01 4.436985060055e-01 -5.299372051649e-01 -5.174120537100e-01 6.709620855377e-02 2.957821684341e-01 -5.816083778578e-01 3*0.0 -4.477713067931e-01 -5.030901999536e-01 4.916001237494e-01 6.922930157481e-01 1.088825497749e-01 -4.376368833064e-01 7.118992660675e-01
|
||||
3*0.0 2.375899225578e-01 4.431315674886e-01 -5.107322972783e-01 -5.174495218839e-01 6.021174137059e-02 2.943732921080e-01 -5.758397181054e-01 3*0.0 -4.478357849358e-01 -5.086530914336e-01 4.781363943023e-01 6.880601825034e-01 1.140837028846e-01 -4.428426825545e-01 7.077257523325e-01
|
||||
3*0.0 2.303152588067e-01 4.423373507835e-01 -4.912599237568e-01 -5.170985047288e-01 5.323876802647e-02 2.937572099110e-01 -5.707430584313e-01 3*0.0 -4.475334526521e-01 -5.139893296113e-01 4.644887403198e-01 6.837255247171e-01 1.193650362832e-01 -4.479826557793e-01 7.035952016275e-01
|
||||
3*0.0 2.229835203142e-01 4.413270032120e-01 -4.715813150122e-01 -5.163772790429e-01 4.619417843360e-02 2.938712489644e-01 -5.662656673776e-01 3*0.0 -4.468706341935e-01 -5.190998961747e-01 4.506715992271e-01 6.792915672062e-01 1.247214724276e-01 -4.530549133136e-01 6.995056181549e-01
|
||||
3*0.0 2.156117666904e-01 4.401114096059e-01 -4.517539016867e-01 -5.153038247538e-01 3.909415220904e-02 2.946545773756e-01 -5.623560081565e-01 3*0.0 -4.458538984655e-01 -5.239859120692e-01 4.366994168710e-01 6.747609183493e-01 1.301478798233e-01 -4.580572914788e-01 6.954547798793e-01
|
||||
3*0.0 2.082162937321e-01 4.387011682131e-01 -4.318313297690e-01 -5.138957947220e-01 3.195419845489e-02 2.960484173896e-01 -5.589639682404e-01 3*0.0 -4.444900430521e-01 -5.286486320935e-01 4.225866145247e-01 6.701362620480e-01 1.356390851557e-01 -4.629873893048e-01 6.914402726842e-01
|
||||
3*0.0 2.008125339179e-01 4.371065797694e-01 -4.118636921488e-01 -5.121704973731e-01 2.478907970853e-02 2.979961112790e-01 -5.560411330688e-01 3*0.0 -4.427860786467e-01 -5.330894395893e-01 4.083475579630e-01 6.654203499892e-01 1.411898847551e-01 -4.678426031924e-01 6.874595223839e-01
|
||||
3*0.0 1.934149114079e-01 4.353376476441e-01 -3.918978048555e-01 -5.101448771084e-01 1.761271625627e-02 3.004431427864e-01 -5.535410235185e-01 3*0.0 -4.407492138763e-01 -5.373098412275e-01 3.939965285338e-01 6.606159942077e-01 1.467950554089e-01 -4.726201595346e-01 6.835098246126e-01
|
||||
3*0.0 1.860367866860e-01 4.334040752165e-01 -3.719773925828e-01 -5.078354833289e-01 1.043815203227e-02 3.033371850648e-01 -5.514192375549e-01 3*0.0 -4.383868405108e-01 -5.413114618886e-01 3.795476961500e-01 6.557260599467e-01 1.524493645389e-01 -4.773171453263e-01 6.795883726327e-01
|
||||
3*0.0 1.786905213555e-01 4.313152547454e-01 -3.521431594780e-01 -5.052584324662e-01 3.277595414223e-03 3.066281845041e-01 -5.496334967323e-01 3*0.0 -4.357065190455e-01 -5.450960396384e-01 3.650150941286e-01 6.507534588121e-01 1.581475797643e-01 -4.819305368069e-01 6.756922831149e-01
|
||||
3*0.0 1.713876014346e-01 4.290802563036e-01 -3.324328043540e-01 -5.024293765971e-01 -3.857506712640e-03 3.102684506745e-01 -5.481436430015e-01 3*0.0 -4.327159646489e-01 -5.486654207989e-01 3.504125958039e-01 6.457011422160e-01 1.638844778743e-01 -4.864572261874e-01 6.718186199501e-01
|
||||
3*0.0 1.641387369359e-01 4.267078292360e-01 -3.128810505472e-01 -4.993634895553e-01 -1.095641026685e-02 3.142127196587e-01 -5.469116331935e-01 3*0.0 -4.294230334656e-01 -5.520215551127e-01 3.357538928448e-01 6.405720951061e-01 1.696548532368e-01 -4.908940465210e-01 6.679644161650e-01
|
||||
3*0.0 1.569538968664e-01 4.242064188088e-01 -2.935197230882e-01 -4.960754700145e-01 -1.800904932541e-02 3.184181751981e-01 -5.459015489780e-01 3*0.0 -4.258357092675e-01 -5.551664910008e-01 3.210524752069e-01 6.353693299740e-01 1.754535256699e-01 -4.952377947840e-01 6.641266940130e-01
|
||||
3*0.0 1.498422942783e-01 4.215841873987e-01 -2.743778667633e-01 -4.925795504843e-01 -2.500603107598e-02 3.228444287522e-01 -5.450796091158e-01 3*0.0 -4.219620904450e-01 -5.581023709125e-01 3.063216126515e-01 6.300958811367e-01 1.812753478047e-01 -4.994852532325e-01 6.603024833216e-01
|
||||
3*0.0 1.428123645755e-01 4.188490254753e-01 -2.554818841439e-01 -4.888894997169e-01 -3.193862508120e-02 3.274534681150e-01 -5.444141609713e-01 3*0.0 -4.178103773331e-01 -5.608314267669e-01 2.915743377685e-01 6.247547992867e-01 1.871152119676e-01 -5.036332091089e-01 6.564888381736e-01
|
||||
3*0.0 1.358717720287e-01 4.160085465519e-01 -2.368556782693e-01 -4.850186142329e-01 -3.879873473228e-02 3.322095880277e-01 -5.438756410259e-01 3*0.0 -4.133888598660e-01 -5.633559754841e-01 2.768234304368e-01 6.193491463020e-01 1.929680566104e-01 -5.076784727689e-01 6.526828520074e-01
|
||||
3*0.0 1.290274515818e-01 4.130700742109e-01 -2.185207938184e-01 -4.809797054101e-01 -4.557885943177e-02 3.370793183980e-01 -5.434365141451e-01 3*0.0 -4.087059055569e-01 -5.656784146061e-01 2.620814036633e-01 6.138819903117e-01 1.988288723161e-01 -5.116178943013e-01 6.488816712155e-01
|
||||
3*0.0 1.222856695160e-01 4.100406363127e-01 -2.004965538235e-01 -4.767850933256e-01 -5.227206609092e-02 3.420313640812e-01 -5.430712113189e-01 3*0.0 -4.037699477991e-01 -5.678012180061e-01 2.473604907397e-01 6.083564010084e-01 2.046927074064e-01 -5.154483787151e-01 6.450825073248e-01
|
||||
3*0.0 1.156520802011e-01 4.069269763304e-01 -1.828001876991e-01 -4.724466143133e-01 -5.887198181134e-02 3.470365618580e-01 -5.427560794567e-01 3*0.0 -3.985894744851e-01 -5.697269316841e-01 2.326726336585e-01 6.027754452029e-01 2.105546731774e-01 -5.191668997625e-01 6.412826478384e-01
|
||||
3*0.0 1.091317643981e-01 4.037355793472e-01 -1.654469459308e-01 -4.679756401774e-01 -6.537280359451e-02 3.520678477266e-01 -5.424693417875e-01 3*0.0 -3.931730169434e-01 -5.714581696500e-01 2.180294727342e-01 5.971421826125e-01 2.164099487863e-01 -5.227705124710e-01 6.374794658181e-01
|
||||
3*0.0 1.027292471776e-01 4.004727002954e-01 -1.484501996189e-01 -4.633831001665e-01 -7.176930824508e-02 3.571002181915e-01 -5.421910555951e-01 3*0.0 -3.875291391896e-01 -5.729976098915e-01 2.034423373723e-01 5.914596618764e-01 2.222537858133e-01 -5.262563644499e-01 6.336704282845e-01
|
||||
3*0.0 9.644850225430e-02 3.971443809979e-01 -1.318215274966e-01 -4.586794963962e-01 -7.805684435267e-02 3.621106692444e-01 -5.419030528339e-01 3*0.0 -3.816664274933e-01 -5.743479904270e-01 1.889222379358e-01 5.857309167930e-01 2.280815125179e-01 -5.296217060410e-01 6.298531035096e-01
|
||||
3*0.0 9.029295219361e-02 3.937564499417e-01 -1.155707962322e-01 -4.538749086346e-01 -8.423129775763e-02 3.670781064291e-01 -5.415888575324e-01 3*0.0 -3.755934802583e-01 -5.755121054423e-01 1.744798586559e-01 5.799589627697e-01 2.338885378098e-01 -5.328638993747e-01 6.260251672744e-01
|
||||
3*0.0 8.426547246581e-02 3.903145087175e-01 -9.970624061930e-02 -4.489789910668e-01 -9.028903537774e-02 3.719832327485e-01 -5.412335851138e-01 3*0.0 -3.693188982185e-01 -5.764928015111e-01 1.601255515386e-01 5.741467934812e-01 2.396703549515e-01 -5.359804263960e-01 6.221844081599e-01
|
||||
3*0.0 7.836840453777e-02 3.868239155011e-01 -8.423454936092e-02 -4.440009677199e-01 -9.622684196453e-02 3.768084303873e-01 -5.408238360338e-01 3*0.0 -3.628512749476e-01 -5.772929738984e-01 1.458693312174e-01 5.682973777271e-01 2.454225450085e-01 -5.389688959182e-01 6.183287319400e-01
|
||||
3*0.0 7.260358075689e-02 3.832897759744e-01 -6.916096055403e-02 -4.389496330227e-01 -1.020418659770e-01 3.815376528240e-01 -5.403475964025e-01 3*0.0 -3.561991876847e-01 -5.779155629458e-01 1.317208707063e-01 5.624136564845e-01 2.511407800609e-01 -5.418270497631e-01 6.144561651387e-01
|
||||
3*0.0 6.697236198855e-02 3.797169469692e-01 -5.448936883131e-02 -4.338333605953e-01 -1.077315848867e-01 3.861563369294e-01 -5.397941529060e-01 3*0.0 -3.493711884756e-01 -5.783635505391e-01 1.176894980066e-01 5.564985401473e-01 2.568208261893e-01 -5.445527680411e-01 6.105648578139e-01
|
||||
3*0.0 6.147568737021e-02 3.761100515142e-01 -4.022244319121e-02 -4.286601192765e-01 -1.132937909032e-01 3.906513348698e-01 -5.391540221520e-01 3*0.0 -3.423757956307e-01 -5.786399566582e-01 1.037841935238e-01 5.505549059467e-01 2.624585462456e-01 -5.471440736255e-01 6.066530856248e-01
|
||||
3*0.0 5.611413368448e-02 3.724734992622e-01 -2.636175114472e-02 -4.234374926671e-01 -1.187265901195e-01 3.950108580935e-01 -5.384188891227e-01 3*0.0 -3.352214854990e-01 -5.787478360072e-01 9.001358825239e-02 5.445855955471e-01 2.680499024189e-01 -5.495991358688e-01 6.027192512400e-01
|
||||
3*0.0 5.088797970644e-02 3.688115050582e-01 -1.290788200002e-02 -4.181726978645e-01 -1.240284045661e-01 3.992244230110e-01 -5.375815474441e-01 3*0.0 -3.279166845596e-01 -5.786902747261e-01 7.638596268491e-02 5.385934128092e-01 2.735909586044e-01 -5.519162736112e-01 5.987618851363e-01
|
||||
3*0.0 4.579726892004e-02 3.651281003029e-01 1.394389466888e-04 -4.128726001987e-01 -1.291979681039e-01 4.032827900020e-01 -5.366358355008e-01 3*0.0 -3.204697618302e-01 -5.784703871840e-01 6.290924640726e-02 5.325811217172e-01 2.790778825830e-01 -5.540939575250e-01 5.947796458411e-01
|
||||
3*0.0 4.084186299692e-02 3.614271352968e-01 1.278125236457e-02 -4.075437227725e-01 -1.342343117985e-01 4.071778920796e-01 -5.355765657410e-01 3*0.0 -3.128890215915e-01 -5.780913128516e-01 4.959101833992e-02 5.265514444610e-01 2.845069480173e-01 -5.561308118406e-01 5.907713196627e-01
|
||||
3*0.0 3.602147907460e-02 3.577122743128e-01 2.501928702493e-02 -4.021922516337e-01 -1.391367397857e-01 4.109027545607e-01 -5.343994483620e-01 3*0.0 -3.051826964286e-01 -5.775562132553e-01 3.643850758760e-02 5.205070596700e-01 2.898745362706e-01 -5.580256154922e-01 5.867358199554e-01
|
||||
3*0.0 3.133570640278e-02 3.539869875604e-01 3.685590231546e-02 -3.968240389119e-01 -1.439048004482e-01 4.144514106672e-01 -5.331010136365e-01 3*0.0 -2.973589405858e-01 -5.768682690109e-01 2.345859486092e-02 5.144506007916e-01 2.951771380525e-01 -5.597773027268e-01 5.826721859595e-01
|
||||
3*0.0 2.678400192955e-02 3.502545449649e-01 4.829404777284e-02 -3.914446068899e-01 -1.485382588996e-01 4.178188193201e-01 -5.316785385143e-01 3*0.0 -2.894258236364e-01 -5.760306769374e-01 1.065781443462e-02 5.083846546086e-01 3.004113548949e-01 -5.613849632109e-01 5.785795812571e-01
|
||||
3*0.0 2.237709623343e-02 3.465177659362e-01 5.932886753598e-02 -3.860591420586e-01 -1.530337166203e-01 4.209987172922e-01 -5.301280485740e-01 3*0.0 -2.813913244625e-01 -5.750466472507e-01 -1.957643391688e-03 5.023117598913e-01 3.055739004639e-01 -5.628478416710e-01 5.744572918808e-01
|
||||
3*0.0 1.808926769805e-02 3.427799290070e-01 6.998199997623e-02 -3.806725567269e-01 -1.573994304120e-01 4.239923586783e-01 -5.284530384333e-01 3*0.0 -2.732633255451e-01 -5.739194008367e-01 -1.438192936328e-02 4.962344061765e-01 3.106616017080e-01 -5.641653371047e-01 5.703047241098e-01
|
||||
3*0.0 1.393229742084e-02 3.390435700821e-01 8.024917070922e-02 -3.752893964806e-01 -1.616310320005e-01 4.267945611702e-01 -5.266496672314e-01 3*0.0 -2.650496075602e-01 -5.726521666037e-01 -2.660953190223e-02 4.901550326718e-01 3.156713998482e-01 -5.653370015904e-01 5.661214019869e-01
|
||||
3*0.0 9.905141347412e-03 3.353112753893e-01 9.013548229998e-02 -3.699140190514e-01 -1.657288022548e-01 4.294033733702e-01 -5.247175611743e-01 3*0.0 -2.567578442775e-01 -5.712481789139e-01 -3.863527333221e-02 4.840760272759e-01 3.206003512105e-01 -5.663625387301e-01 5.619069645867e-01
|
||||
3*0.0 6.006526698144e-03 3.315854771796e-01 9.964633431454e-02 -3.645505241531e-01 -1.696932209269e-01 4.318174393955e-01 -5.226568844884e-01 3*0.0 -2.483955977598e-01 -5.697106750931e-01 -5.045430572546e-02 4.779997257134e-01 3.254456279043e-01 -5.672418017525e-01 5.576611630654e-01
|
||||
3*0.0 2.234927018555e-03 3.278684630494e-01 1.087873947892e-01 -3.592027631743e-01 -1.735249749886e-01 4.340359603465e-01 -5.204683056466e-01 3*0.0 -2.399703138568e-01 -5.680428930188e-01 -6.206210640046e-02 4.719284107774e-01 3.302045183494e-01 -5.679747913055e-01 5.533838575165e-01
|
||||
3*0.0 -1.411438798441e-03 3.241623844894e-01 1.175645908767e-01 -3.538743483755e-01 -1.772249548597e-01 4.360586672006e-01 -5.181529574456e-01 3*0.0 -2.314893179904e-01 -5.662480687864e-01 -7.345447309738e-02 4.658643116752e-01 3.348744276533e-01 -5.685616529628e-01 5.490750136610e-01
|
||||
3*0.0 -4.934587265651e-03 3.204692639558e-01 1.259841113781e-01 -3.485686617282e-01 -1.807942400489e-01 4.378858001640e-01 -5.157123924828e-01 3*0.0 -2.229598112256e-01 -5.643294344520e-01 -8.462751885750e-02 4.598096034737e-01 3.394528778418e-01 -5.690026744718e-01 5.447346993929e-01
|
||||
3*0.0 -8.336737589513e-03 3.167910002271e-01 1.340524130874e-01 -3.432888635583e-01 -1.842340775942e-01 4.395180896933e-01 -5.131485366365e-01 3*0.0 -2.143888666233e-01 -5.622902158522e-01 -9.557766663167e-02 4.537664066383e-01 3.439375079458e-01 -5.692982827653e-01 5.403630812041e-01
|
||||
3*0.0 -1.162027312816e-02 3.131293722585e-01 1.417762236876e-01 -3.380379011608e-01 -1.875458575335e-01 4.409567355132e-01 -5.104636434638e-01 3*0.0 -2.057834258669e-01 -5.601336305004e-01 -1.063016436418e-01 4.477367866624e-01 3.483260739457e-01 -5.694490407602e-01 5.359604205075e-01
|
||||
3*0.0 -1.478770367389e-02 3.094860420623e-01 1.491625358485e-01 -3.328185175247e-01 -1.907310893806e-01 4.422033814503e-01 -5.076602520141e-01 3*0.0 -1.971502961595e-01 -5.578628855579e-01 -1.167964755184e-01 4.417227537824e-01 3.526164485782e-01 -5.694556439644e-01 5.315270698788e-01
|
||||
3*0.0 -1.784163304663e-02 3.058625572446e-01 1.562185896200e-01 -3.276332602234e-01 -1.937913824622e-01 4.432600853266e-01 -5.047411496193e-01 3*0.0 -1.884961473837e-01 -5.554811758800e-01 -1.270594802362e-01 4.357262627745e-01 3.568066210073e-01 -5.693189169127e-01 5.270634692336e-01
|
||||
3*0.0 -2.078473395226e-02 3.022603537395e-01 1.629518426757e-01 -3.224844904318e-01 -1.967284313864e-01 4.441292842467e-01 -5.017093400778e-01 3*0.0 -1.798275095181e-01 -5.529916821362e-01 -1.370882618686e-01 4.297492128291e-01 3.608946963630e-01 -5.690398094511e-01 5.225701419573e-01
|
||||
3*0.0 -2.361972987902e-02 2.986807590678e-01 1.693699300921e-01 -3.173743919403e-01 -1.995440063822e-01 4.448137563133e-01 -4.985680166367e-01 3*0.0 -1.711507703045e-01 -5.503975690037e-01 -1.468807041813e-01 4.237934474987e-01 3.648788951515e-01 -5.686193928869e-01 5.180476910012e-01
|
||||
3*0.0 -2.634938240753e-02 2.951249962106e-01 1.754806169080e-01 -3.123049799937e-01 -2.022399471351e-01 4.453165801902e-01 -4.953205385372e-01 3*0.0 -1.624721731576e-01 -5.477019834322e-01 -1.564349640841e-01 4.178607547165e-01 3.687575525399e-01 -5.680588560235e-01 5.134967949612e-01
|
||||
3*0.0 -2.897648179352e-02 2.915941879851e-01 1.812917475936e-01 -3.072781097831e-01 -2.048181582548e-01 4.456410940965e-01 -4.919704096951e-01 3*0.0 -1.537978153116e-01 -5.449080529817e-01 -1.657494649592e-01 4.119528668803e-01 3.725291175205e-01 -5.673595010953e-01 5.089182041499e-01
|
||||
3*0.0 -3.150383888011e-02 2.880893617054e-01 1.868111967283e-01 -3.022954844758e-01 -2.072806046204e-01 4.457908558260e-01 -4.885212583112e-01 3*0.0 -1.451336461957e-01 -5.420188842292e-01 -1.748228898825e-01 4.060714610004e-01 3.761921519571e-01 -5.665227396181e-01 5.043127366751e-01
|
||||
3*0.0 -3.393427701277e-02 2.846114538908e-01 1.920468246987e-01 -2.973586627369e-01 -2.096293053878e-01 4.457696052584e-01 -4.849768166619e-01 3*0.0 -1.364854660312e-01 -5.390375612453e-01 -1.836541747559e-01 4.002181589059e-01 3.797453295195e-01 -5.655500881708e-01 4.996812745356e-01
|
||||
3*0.0 -3.627062337174e-02 2.811613148372e-01 1.970064412184e-01 -2.924690657718e-01 -2.118663261781e-01 4.455812305665e-01 -4.813409008475e-01 3*0.0 -1.278589246437e-01 -5.359671441394e-01 -1.922425013651e-01 3.943945275076e-01 3.831874345084e-01 -5.644431641209e-01 4.950247597437e-01
|
||||
3*0.0 -3.851569979259e-02 2.777397129549e-01 2.016977781652e-01 -2.876279839702e-01 -2.139937696685e-01 4.452297389353e-01 -4.776173907188e-01 3*0.0 -1.192595204821e-01 -5.328106676716e-01 -2.005872903769e-01 3.886020791140e-01 3.865173605775e-01 -5.632036813077e-01 4.903441904841e-01
|
||||
3*0.0 -4.067231360260e-02 2.743473388617e-01 2.061284718760e-01 -2.828365832485e-01 -2.160137653304e-01 4.447192321492e-01 -4.738102104789e-01 3*0.0 -1.106925998373e-01 -5.295711399311e-01 -2.086881942930e-01 3.828422717966e-01 3.897341093559e-01 -5.618334456957e-01 4.856406173172e-01
|
||||
3*0.0 -4.274324922525e-02 2.709848092847e-01 2.103060538910e-01 -2.780959111884e-01 -2.179284593179e-01 4.440538869365e-01 -4.699233105666e-01 3*0.0 -1.021633562539e-01 -5.262515410788e-01 -2.165450903699e-01 3.771165098020e-01 3.928367889759e-01 -5.603343510082e-01 4.809151394345e-01
|
||||
3*0.0 -4.473126131523e-02 2.676526708495e-01 2.142379483499e-01 -2.734069030445e-01 -2.197400055060e-01 4.432379395669e-01 -4.659606513744e-01 3*0.0 -9.367683012588e-02 -5.228548221543e-01 -2.241580735199e-01 3.714261440091e-01 3.958246125125e-01 -5.587083743547e-01 4.761689009730e-01
|
||||
3*0.0 -4.663907002605e-02 2.643514038252e-01 2.179314738892e-01 -2.687703876684e-01 -2.214505584543e-01 4.422756739326e-01 -4.619261892105e-01 3*0.0 -8.523790847114e-02 -5.193839039448e-01 -2.315274492048e-01 3.657724724257e-01 3.986968963369e-01 -5.569575718589e-01 4.714030873940e-01
|
||||
3*0.0 -4.846935873791e-02 2.610814258623e-01 2.213938479299e-01 -2.641870933619e-01 -2.230622687256e-01 4.411714122162e-01 -4.578238646904e-01 3*0.0 -7.685132487547e-02 -5.158416759154e-01 -2.386537263319e-01 3.601567407250e-01 4.014530583924e-01 -5.550840743000e-01 4.666189219332e-01
|
||||
3*0.0 -5.022477424148e-02 2.578430957060e-01 2.246321915659e-01 -2.596576536358e-01 -2.245772805919e-01 4.399295072604e-01 -4.536575935061e-01 3*0.0 -6.852165960020e-02 -5.122309951993e-01 -2.455376101653e-01 3.545801428178e-01 4.040926163944e-01 -5.530900827736e-01 4.618176621255e-01
|
||||
3*0.0 -5.190792903141e-02 2.546367168282e-01 2.276535337189e-01 -2.551826128186e-01 -2.259977318015e-01 4.385543358489e-01 -4.494312592885e-01 3*0.0 -6.025333984587e-02 -5.085546856462e-01 -2.521799952595e-01 3.490438214574e-01 4.066151859625e-01 -5.509778643823e-01 4.570005964098e-01
|
||||
3*0.0 -5.352140505175e-02 2.514625408864e-01 2.304648136873e-01 -2.507624314355e-01 -2.273257548001e-01 4.370502922517e-01 -4.451487080978e-01 3*0.0 -5.205064016490e-02 -5.048155369282e-01 -2.585819584277e-01 3.435488688763e-01 4.090204786878e-01 -5.487497479623e-01 4.521690408170e-01
|
||||
3*0.0 -5.506775798986e-02 2.483207709134e-01 2.330728815950e-01 -2.463974912781e-01 -2.285634786386e-01 4.354217815443e-01 -4.408137439750e-01 3*0.0 -4.391768301665e-02 -5.010163037016e-01 -2.647447517504e-01 3.380963274518e-01 4.113083001416e-01 -5.464081198547e-01 4.473243357452e-01
|
||||
3*0.0 -5.654952107397e-02 2.452115641647e-01 2.354844965229e-01 -2.420881001071e-01 -2.297130307500e-01 4.336732123593e-01 -4.364301249763e-01 3*0.0 -3.585843945776e-02 -4.971597048235e-01 -2.706697956353e-01 3.326871903973e-01 4.134785478298e-01 -5.439554197259e-01 4.424678428240e-01
|
||||
3*0.0 -5.796920733080e-02 2.421350345997e-01 2.377063222932e-01 -2.378344959739e-01 -2.307765378660e-01 4.318089888767e-01 -4.320015591965e-01 3*0.0 -2.787672996157e-02 -4.932484226205e-01 -2.763586719337e-01 3.273224024790e-01 4.155312090989e-01 -5.413941364456e-01 4.376009418712e-01
|
||||
3*0.0 -5.932930942789e-02 2.390912550305e-01 2.397449210348e-01 -2.336368511944e-01 -2.317561255217e-01 4.298335020005e-01 -4.275317004303e-01 3*0.0 -1.997622535980e-02 -4.892851022109e-01 -2.818131171226e-01 3.220028607542e-01 4.174663589973e-01 -5.387268040261e-01 4.327250279434e-01
|
||||
3*0.0 -6.063229655613e-02 2.360802590352e-01 2.416067448046e-01 -2.294952760488e-01 -2.326539158700e-01 4.277511198182e-01 -4.230241433073e-01 3*0.0 -1.216044790049e-02 -4.852723508759e-01 -2.870350155569e-01 3.167294153307e-01 4.192841580977e-01 -5.359559976288e-01 4.278415084820e-01
|
||||
3*0.0 -6.188060825663e-02 2.331020427637e-01 2.432981257139e-01 -2.254098222980e-01 -2.334720238216e-01 4.255661775755e-01 -4.184824179179e-01 3*0.0 -4.432772415805e-03 -4.812127374807e-01 -2.920263928003e-01 3.115028701445e-01 4.209848502852e-01 -5.330843296429e-01 4.229518005559e-01
|
||||
3*0.0 -6.307664557847e-02 2.301565667769e-01 2.448252651656e-01 -2.213804866020e-01 -2.342125518082e-01 4.232829675087e-01 -4.139099841038e-01 3*0.0 3.203572406012e-03 -4.771087919434e-01 -2.967894090386e-01 3.063239837538e-01 4.225687605148e-01 -5.301144458394e-01 4.180573282029e-01
|
||||
3*0.0 -6.422276037469e-02 2.272437580266e-01 2.461942229371e-01 -2.174072138986e-01 -2.348775836687e-01 4.209057289394e-01 -4.093102256880e-01 3*0.0 1.074550265058e-02 -4.729630047496e-01 -3.013263525815e-01 3.011934701491e-01 4.240362925443e-01 -5.270490216056e-01 4.131595198684e-01
|
||||
3*0.0 -6.532124381274e-02 2.243635120390e-01 2.474109068859e-01 -2.134899007656e-01 -2.354691782509e-01 4.184386390338e-01 -4.046864449668e-01 3*0.0 1.819007771464e-02 -4.687778265131e-01 -3.056396334577e-01 2.961119995759e-01 4.253879266454e-01 -5.238907582622e-01 4.082598059435e-01
|
||||
3*0.0 -6.637431524542e-02 2.215156952950e-01 2.484810640025e-01 -2.096283987546e-01 -2.359893632954e-01 4.158858045676e-01 -4.000418577649e-01 3*0.0 2.553449875627e-02 -4.645556675793e-01 -3.097317771082e-01 2.910801993692e-01 4.266242172984e-01 -5.206423794673e-01 4.033596164018e-01
|
||||
3*0.0 -6.738411245906e-02 2.187001477497e-01 2.494102733881e-01 -2.058225176621e-01 -2.364401300372e-01 4.132512549205e-01 -3.953795892932e-01 3*0.0 3.277610706318e-02 -4.602988976719e-01 -3.136054181805e-01 2.860986547988e-01 4.277457908737e-01 -5.173066277089e-01 3.984603785348e-01
|
||||
3*0.0 -6.835268403221e-02 2.159166853922e-01 2.502039415085e-01 -2.020720286925e-01 -2.368234287741e-01 4.105389363902e-01 -3.907026709510e-01 3*0.0 3.991238234431e-02 -4.560098455802e-01 -3.172632944292e-01 2.811679099232e-01 4.287533433046e-01 -5.138862608885e-01 3.935635147856e-01
|
||||
3*0.0 -6.928198417952e-02 2.131651027361e-01 2.508672998319e-01 -1.983766674718e-01 -2.371411654571e-01 4.077527077836e-01 -3.860140381092e-01 3*0.0 4.694094094963e-02 -4.516907988862e-01 -3.207082407250e-01 2.762884684509e-01 4.296476377553e-01 -5.103840489992e-01 3.886704406801e-01
|
||||
3*0.0 -7.017387010144e-02 2.104451751417e-01 2.514054047228e-01 -1.947361368816e-01 -2.373951991987e-01 4.048963371423e-01 -3.813165288174e-01 3*0.0 5.385953402294e-02 -4.473440037307e-01 -3.239431831760e-01 2.714607946081e-01 4.304295022861e-01 -5.068027708969e-01 3.837825628558e-01
|
||||
3*0.0 -7.103010157920e-02 2.077566609014e-01 2.518231392838e-01 -1.911501097000e-01 -2.375873405150e-01 4.019734994071e-01 -3.766128833079e-01 3*0.0 6.066604559220e-02 -4.429716646161e-01 -3.269711333634e-01 2.666853140113e-01 4.310998275220e-01 -5.031452111703e-01 3.789012771854e-01
|
||||
3*0.0 -7.185234238413e-02 2.050993030588e-01 2.521252167369e-01 -1.876182310496e-01 -2.377193501005e-01 3.989877748191e-01 -3.719057441379e-01 3*0.0 6.735849060195e-02 -4.385759442455e-01 -3.297951826949e-01 2.619624145433e-01 4.316595643252e-01 -4.994141571064e-01 3.740279669964e-01
|
||||
3*0.0 -7.264216301669e-02 2.024728309693e-01 2.523161849071e-01 -1.841401206628e-01 -2.377929379954e-01 3.959426478983e-01 -3.671976568095e-01 3*0.0 7.393501289195e-02 -4.341589633967e-01 -3.324184968767e-01 2.572924472324e-01 4.321097214763e-01 -4.956123957560e-01 3.691640013831e-01
|
||||
3*0.0 -7.340104433286e-02 1.998769616421e-01 2.524004314192e-01 -1.807153749843e-01 -2.378097630908e-01 3.928415069000e-01 -3.624910707373e-01 3*0.0 8.039388312629e-02 -4.297228008297e-01 -3.348443105074e-01 2.526757271323e-01 4.324513633664e-01 -4.917427110978e-01 3.643107336118e-01
|
||||
3*0.0 -7.413038171662e-02 1.973114009221e-01 2.523821893045e-01 -1.773435691293e-01 -2.377714330132e-01 3.896876437203e-01 -3.577883404778e-01 3*0.0 8.673349667686e-02 -4.252694932266e-01 -3.370759217946e-01 2.481125342036e-01 4.326856077035e-01 -4.878078813020e-01 3.594694996162e-01
|
||||
3*0.0 -7.483148957850e-02 1.947758445755e-01 2.522655428213e-01 -1.740242587207e-01 -2.376795044967e-01 3.864842542800e-01 -3.530917271846e-01 3*0.0 9.295237146499e-02 -4.208010351627e-01 -3.391166873955e-01 2.436031141936e-01 4.328136232343e-01 -4.838106760943e-01 3.546416165812e-01
|
||||
3*0.0 -7.550560606580e-02 1.922699793402e-01 2.520544333930e-01 -1.707569816234e-01 -2.375354843770e-01 3.832344394421e-01 -3.484034002928e-01 3*0.0 9.904914576497e-02 -4.163193791079e-01 -3.409700173830e-01 2.391476795156e-01 4.328366274863e-01 -4.797538542190e-01 3.498283816154e-01
|
||||
3*0.0 -7.615389794199e-02 1.897934839844e-01 2.517526656355e-01 -1.675412595957e-01 -2.373408313145e-01 3.799412065209e-01 -3.437254394558e-01 3*0.0 1.050225759729e-01 -4.118264354568e-01 -3.426393703387e-01 2.347464101255e-01 4.327558845299e-01 -4.756401610021e-01 3.450310705076e-01
|
||||
3*0.0 -7.677746562233e-02 1.873460304020e-01 2.513639134825e-01 -1.643765998686e-01 -2.370969582920e-01 3.766074714018e-01 -3.390598367632e-01 3*0.0 1.108715343445e-01 -4.073240725873e-01 -3.441282485721e-01 2.303994543950e-01 4.325727027643e-01 -4.714723260141e-01 3.402509365680e-01
|
||||
3*0.0 -7.737734834637e-02 1.849272847481e-01 2.508917264109e-01 -1.612624966654e-01 -2.368052358354e-01 3.732360612403e-01 -3.344084992408e-01 3*0.0 1.165950067043e-01 -4.028141169450e-01 -3.454401934679e-01 2.261069299819e-01 4.322884327285e-01 -4.672530608305e-01 3.354892095507e-01
|
||||
3*0.0 -7.795452943696e-02 1.825369086029e-01 2.503395357379e-01 -1.581984326612e-01 -2.364669958156e-01 3.698297176392e-01 -3.297732516067e-01 3*0.0 1.221920901311e-01 -3.982983531544e-01 -3.465787809617e-01 2.218689246944e-01 4.319044649395e-01 -4.629850568911e-01 3.307470946555e-01
|
||||
3*0.0 -7.850994155481e-02 1.801745601338e-01 2.497106609113e-01 -1.551838803801e-01 -2.360835356027e-01 3.663911001476e-01 -3.251558392132e-01 3*0.0 1.276619906203e-01 -3.937785241544e-01 -3.475476171424e-01 2.176854973508e-01 4.314222277592e-01 -4.586709834565e-01 3.260257716082e-01
|
||||
3*0.0 -7.904447181988e-02 1.778398952176e-01 2.490083156656e-01 -1.522183035199e-01 -2.356561222937e-01 3.629227898767e-01 -3.205579310727e-01 3*0.0 1.330040207280e-01 -3.892563313573e-01 -3.483503339845e-01 2.135566786337e-01 4.308431852911e-01 -4.543134856608e-01 3.213263938155e-01
|
||||
3*0.0 -7.955896664569e-02 1.755325684818e-01 2.482356138781e-01 -1.493011581911e-01 -2.351859967158e-01 3.594272930133e-01 -3.159811228432e-01 3*0.0 1.382175971988e-01 -3.847334348310e-01 -3.489905852066e-01 2.094824719359e-01 4.301688353100e-01 -4.499151826590e-01 3.166500875939e-01
|
||||
3*0.0 -8.005423612507e-02 1.732522342281e-01 2.473955749452e-01 -1.464318940566e-01 -2.346743769288e-01 3.559070440171e-01 -3.114269396479e-01 3*0.0 1.433022385797e-01 -3.802114535027e-01 -3.494720422588e-01 2.054628542010e-01 4.294007072226e-01 -4.454786658688e-01 3.119979514699e-01
|
||||
3*0.0 -8.053105781646e-02 1.709985472093e-01 2.464911285122e-01 -1.436099553619e-01 -2.341224610041e-01 3.523644083300e-01 -3.068968386198e-01 3*0.0 1.482575628233e-01 -3.756919653837e-01 -3.497983904363e-01 2.014977767550e-01 4.285403600646e-01 -4.410064973052e-01 3.073710555485e-01
|
||||
3*0.0 -8.099017980724e-02 1.687711632464e-01 2.455251184248e-01 -1.408347818519e-01 -2.335314289310e-01 3.488016844793e-01 -3.023922110954e-01 3*0.0 1.530832848820e-01 -3.711765078136e-01 -3.499733251198e-01 1.975871661298e-01 4.275893805311e-01 -4.365012080058e-01 3.027704409501e-01
|
||||
3*0.0 -8.143232297082e-02 1.665697396864e-01 2.445003058320e-01 -1.381058095797e-01 -2.329024435905e-01 3.452211055289e-01 -2.979143844261e-01 3*0.0 1.577792142965e-01 -3.666665777246e-01 -3.500005481417e-01 1.937309248783e-01 4.265493810437e-01 -4.319652965464e-01 2.981971193106e-01
|
||||
3*0.0 -8.185818238176e-02 1.643939357167e-01 2.434193714351e-01 -1.354224716178e-01 -2.322366508224e-01 3.416248399014e-01 -2.934646234206e-01 3*0.0 1.623452527797e-01 -3.621636319226e-01 -3.498837642772e-01 1.899289323798e-01 4.254219978550e-01 -4.274012276443e-01 2.936520723445e-01
|
||||
3*0.0 -8.226842790332e-02 1.622434125638e-01 2.422849169449e-01 -1.327841986925e-01 -2.315351786918e-01 3.380149916582e-01 -2.890441314725e-01 3*0.0 1.667813917990e-01 -3.576690873868e-01 -3.496266778588e-01 1.861810456364e-01 4.242088891903e-01 -4.228114308483e-01 2.891362514694e-01
|
||||
3*0.0 -8.266370400915e-02 1.601178336122e-01 2.410994658670e-01 -1.301904197610e-01 -2.307991361165e-01 3.343936003693e-01 -2.846540514552e-01 3*0.0 1.710877101590e-01 -3.531843215852e-01 -3.492329895143e-01 1.824871000586e-01 4.229117334271e-01 -4.181982993140e-01 2.846505774866e-01
|
||||
3*0.0 -8.304462894061e-02 1.580168644806e-01 2.398654637723e-01 -1.276405625535e-01 -2.300296110612e-01 3.307626407323e-01 -2.802954664798e-01 3*0.0 1.752643715857e-01 -3.487106728059e-01 -3.487063930257e-01 1.788469102412e-01 4.215322273143e-01 -4.135641886614e-01 2.801959403197e-01
|
||||
3*0.0 -8.341179333124e-02 1.559401730930e-01 2.385852782282e-01 -1.251340540976e-01 -2.292276685145e-01 3.271240221031e-01 -2.759694006110e-01 3*0.0 1.793116223159e-01 -3.442494405035e-01 -3.480505723089e-01 1.752602707282e-01 4.200720842300e-01 -4.089114159141e-01 2.757731988054e-01
|
||||
3*0.0 -8.376575844724e-02 1.538874297727e-01 2.372611985647e-01 -1.226703212345e-01 -2.283943484615e-01 3.234795880891e-01 -2.716768196231e-01 3*0.0 1.832297886911e-01 -3.398018856592e-01 -3.472691985121e-01 1.717269567666e-01 4.185330324789e-01 -4.042422585182e-01 2.713831805372e-01
|
||||
3*0.0 -8.410705419894e-02 1.518583073836e-01 2.358954356315e-01 -1.202487911339e-01 -2.275306640386e-01 3.198311163269e-01 -2.674186318554e-01 3*0.0 1.870192747604e-01 -3.353692311552e-01 -3.463659272315e-01 1.682467250491e-01 4.169168136300e-01 -3.995589534380e-01 2.670266817577e-01
|
||||
3*0.0 -8.443617707298e-02 1.498524815283e-01 2.344901216734e-01 -1.178688918034e-01 -2.266376000204e-01 3.161803185322e-01 -2.631956892071e-01 3*0.0 1.906805598919e-01 -3.309526621604e-01 -3.453443958436e-01 1.648193144453e-01 4.152251808939e-01 -3.948636963282e-01 2.627044672988e-01
|
||||
3*0.0 -8.475358812184e-02 1.478696308082e-01 2.330473104222e-01 -1.155300525904e-01 -2.257161117410e-01 3.125288408713e-01 -2.590087882827e-01 3*0.0 1.942141963948e-01 -3.265533265295e-01 -3.442082209506e-01 1.614444467210e-01 4.134598975405e-01 -3.901586407785e-01 2.584172705670e-01
|
||||
3*0.0 -8.505971112884e-02 1.459094371417e-01 2.315689774686e-01 -1.132317046656e-01 -2.247671245059e-01 3.088782646707e-01 -2.548586716896e-01 3*0.0 1.976208071553e-01 -3.221723352125e-01 -3.429609959398e-01 1.581218272455e-01 4.116227353571e-01 -3.854458976313e-01 2.541657935725e-01
|
||||
3*0.0 -8.535493104586e-02 1.439715861286e-01 2.300570209562e-01 -1.109732814839e-01 -2.237915335020e-01 3.052301074498e-01 -2.507460294694e-01 3*0.0 2.009010832847e-01 -3.178107626752e-01 -3.416062886529e-01 1.548511456870e-01 4.097154731467e-01 -3.807275343677e-01 2.499507069987e-01
|
||||
3*0.0 -8.563959278006e-02 1.420557674491e-01 2.285132626145e-01 -1.087542192171e-01 -2.227902041759e-01 3.015858242430e-01 -2.466715006441e-01 3*0.0 2.040557817841e-01 -3.134696473293e-01 -3.401476391645e-01 1.516320766953e-01 4.077398952664e-01 -3.760055745620e-01 2.457726503120e-01
|
||||
3*0.0 -8.591400038675e-02 1.401616752806e-01 2.269394491367e-01 -1.065739571544e-01 -2.217639730183e-01 2.979468091625e-01 -2.426356748519e-01 3*0.0 2.070857232256e-01 -3.091499919726e-01 -3.385885576688e-01 1.484642805726e-01 4.056977902070e-01 -3.712819974013e-01 2.416322319082e-01
|
||||
3*0.0 -8.617841670950e-02 1.382890087140e-01 2.253372538965e-01 -1.044319380727e-01 -2.207136486697e-01 2.943143971460e-01 -2.386390940492e-01 3*0.0 2.099917894507e-01 -3.048527642368e-01 -3.369325224699e-01 1.453474039312e-01 4.035909492108e-01 -3.665587372694e-01 2.375300292945e-01
|
||||
3*0.0 -8.643306349346e-02 1.364374721543e-01 2.237082789867e-01 -1.023276085760e-01 -2.196400132552e-01 2.906898658318e-01 -2.346822542566e-01 3*0.0 2.127749212891e-01 -3.005788970448e-01 -3.351829780775e-01 1.422810803385e-01 4.014211649316e-01 -3.618376833911e-01 2.334665893055e-01
|
||||
3*0.0 -8.667812198697e-02 1.346067756876e-01 2.220540575611e-01 -1.002604194061e-01 -2.185438238508e-01 2.870744375089e-01 -2.307656073274e-01 3*0.0 2.154361162971e-01 -2.963292890744e-01 -3.333433334023e-01 1.392649309501e-01 3.991902301324e-01 -3.571206795375e-01 2.294424283504e-01
|
||||
3*0.0 -8.691373403368e-02 1.327966353991e-01 2.203760564480e-01 -9.822982572642e-02 -2.174258139945e-01 2.834692810915e-01 -2.268895627203e-01 3*0.0 2.179764265181e-01 -2.921048052295e-01 -3.314169600518e-01 1.362985651288e-01 3.968999364237e-01 -3.524095237878e-01 2.254580326906e-01
|
||||
3*0.0 -8.714000364670e-02 1.310067736306e-01 2.186756790020e-01 -9.623528737735e-02 -2.162866951651e-01 2.798755140799e-01 -2.230544892558e-01 3*0.0 2.203969562649e-01 -2.879062771178e-01 -3.294071907233e-01 1.333815810514e-01 3.945520730410e-01 -3.477059683469e-01 2.215138587448e-01
|
||||
3*0.0 -8.735699904358e-02 1.292369191661e-01 2.169542681497e-01 -9.427626910298e-02 -2.151271581720e-01 2.762942044736e-01 -2.192607168416e-01 3*0.0 2.226988599267e-01 -2.837345035344e-01 -3.273173176920e-01 1.305135663031e-01 3.921484256599e-01 -3.430117194166e-01 2.176103334218e-01
|
||||
3*0.0 -8.756475510784e-02 1.274868073402e-01 2.152131095836e-01 -9.235224074699e-02 -2.139478744170e-01 2.727263726167e-01 -2.155085381506e-01 3*0.0 2.248833398001e-01 -2.795902509507e-01 -3.251505913922e-01 1.276940984575e-01 3.896907752517e-01 -3.383284371189e-01 2.137478544767e-01
|
||||
3*0.0 -8.776327622885e-02 1.257561800663e-01 2.134534350509e-01 -9.046267741502e-02 -2.127494970081e-01 2.691729929614e-01 -2.117982102410e-01 3*0.0 2.269516439458e-01 -2.754742540083e-01 -3.229102190903e-01 1.249227456453e-01 3.871808969750e-01 -3.336577354679e-01 2.099267908914e-01
|
||||
3*0.0 -8.795253945875e-02 1.240447857887e-01 2.116764256853e-01 -8.860705960278e-02 -2.115326617243e-01 2.656349957451e-01 -2.081299561101e-01 3*0.0 2.289050640715e-01 -2.713872160170e-01 -3.205993636458e-01 1.221990671086e-01 3.846205591070e-01 -3.290011823901e-01 2.061474832763e-01
|
||||
3*0.0 -8.813249791332e-02 1.223523793647e-01 2.098832153289e-01 -8.678487328948e-02 -2.102979878448e-01 2.621132685863e-01 -2.045039661794e-01 3*0.0 2.307449334430e-01 -2.673298094576e-01 -3.182211423595e-01 1.195226137434e-01 3.820115220104e-01 -3.243602997903e-01 2.024102442920e-01
|
||||
3*0.0 -8.830308433435e-02 1.206787218890e-01 2.080748937945e-01 -8.499560999884e-02 -2.090460788668e-01 2.586086580056e-01 -2.009203997119e-01 3*0.0 2.324726248221e-01 -2.633026764872e-01 -3.157786259066e-01 1.168929286282e-01 3.793555371385e-01 -3.197365636617e-01 1.987153590899e-01
|
||||
3*0.0 -8.847028096817e-02 1.190229171173e-01 2.062570614478e-01 -8.323852418526e-02 -2.077829289254e-01 2.551256793605e-01 -1.973812991116e-01 3*0.0 2.340895484343e-01 -2.593064294483e-01 -3.132748373523e-01 1.143095475409e-01 3.766543460760e-01 -3.151314042371e-01 1.950630857698e-01
|
||||
3*0.0 -8.861711977458e-02 1.173860714679e-01 2.044187446850e-01 -8.151360099921e-02 -2.064964892137e-01 2.516564969734e-01 -1.938823305206e-01 3*0.0 2.355971499659e-01 -2.553416513800e-01 -3.107127512468e-01 1.117719994616e-01 3.739096796157e-01 -3.105462061813e-01 1.914536558532e-01
|
||||
3*0.0 -8.875430806608e-02 1.157673037022e-01 2.025684036281e-01 -7.982011370533e-02 -2.051944714069e-01 2.482067207239e-01 -1.904260909531e-01 3*0.0 2.369969085909e-01 -2.514088965319e-01 -3.080952928000e-01 1.092798070635e-01 3.711232568717e-01 -3.059823088211e-01 1.878872747714e-01
|
||||
3*0.0 -8.888184398232e-02 1.141663950111e-01 2.007070463551e-01 -7.815757529846e-02 -2.038774581655e-01 2.447770725265e-01 -1.870126415804e-01 3*0.0 2.382903350292e-01 -2.475086908794e-01 -3.054253371306e-01 1.068324871910e-01 3.682967844259e-01 -3.014410064125e-01 1.843641223662e-01
|
||||
3*0.0 -8.899971378766e-02 1.125831317953e-01 1.988356433067e-01 -7.652550434974e-02 -2.025460186414e-01 2.413682381965e-01 -1.836420170391e-01 3*0.0 2.394789696362e-01 -2.436415326407e-01 -3.027057085901e-01 1.044295513247e-01 3.654319555108e-01 -2.969235484421e-01 1.808843534028e-01
|
||||
3*0.0 -8.910789246200e-02 1.110173056133e-01 1.969551285700e-01 -7.492342505458e-02 -2.012007088437e-01 2.379808685381e-01 -1.803142265441e-01 3*0.0 2.405643805241e-01 -2.398078927949e-01 -2.999391801585e-01 1.020705060349e-01 3.625304492246e-01 -2.924311399621e-01 1.774480980934e-01
|
||||
3*0.0 -8.920634450931e-02 1.094687131219e-01 1.950664013246e-01 -7.335086727078e-02 -1.998420721057e-01 2.346155805115e-01 -1.770292550509e-01 3*0.0 2.415481617160e-01 -2.360082156002e-01 -2.971284729082e-01 9.975485342138e-02 3.595939297812e-01 -2.879649419564e-01 1.740554626298e-01
|
||||
3*0.0 -8.929502495870e-02 1.079371560079e-01 1.931703274178e-01 -7.180736654675e-02 -1.984706396307e-01 2.312729584606e-01 -1.737870644491e-01 3*0.0 2.424319313331e-01 -2.322429191134e-01 -2.942762555372e-01 9.748209154199e-02 3.566240457920e-01 -2.835260717366e-01 1.707065297251e-01
|
||||
3*0.0 -8.937388052403e-02 1.064224409098e-01 1.912677410325e-01 -7.029246413956e-02 -1.970869310955e-01 2.279535553762e-01 -1.705875947676e-01 3*0.0 2.432173298148e-01 -2.285123957083e-01 -2.913851439660e-01 9.525171482839e-02 3.536224295805e-01 -2.791156033660e-01 1.674013591620e-01
|
||||
3*0.0 -8.944285088299e-02 1.049243793288e-01 1.893594464045e-01 -6.880570702301e-02 -1.956914552865e-01 2.246578941725e-01 -1.674307653742e-01 3*0.0 2.439060181729e-01 -2.248170125947e-01 -2.884577009983e-01 9.306321449003e-02 3.505906965292e-01 -2.747345681105e-01 1.641399883472e-01
|
||||
3*0.0 -8.950187003345e-02 1.034427875303e-01 1.874462195494e-01 -6.734664788625e-02 -1.942847107489e-01 2.213864689527e-01 -1.643164761492e-01 3*0.0 2.444996762805e-01 -2.211571123363e-01 -2.854964360427e-01 9.091607890605e-02 3.475304444566e-01 -2.703839549141e-01 1.609224328719e-01
|
||||
3*0.0 -8.955086768479e-02 1.019774864355e-01 1.855288099572e-01 -6.591484512337e-02 -1.928671864280e-01 2.181397462450e-01 -1.612446086200e-01 3*0.0 2.450000011945e-01 -2.175330133675e-01 -2.825038048933e-01 8.880979400540e-02 3.444432530264e-01 -2.660647108982e-01 1.577486870755e-01
|
||||
3*0.0 -8.958977064427e-02 1.005283015050e-01 1.836079422203e-01 -6.450986281498e-02 -1.914393622884e-01 2.149181661912e-01 -1.582150270430e-01 3*0.0 2.454087055136e-01 -2.139450105091e-01 -2.794822095673e-01 8.674384363526e-02 3.413306831856e-01 -2.617777418826e-01 1.546187246135e-01
|
||||
3*0.0 -8.961850416235e-02 9.909506261596e-02 1.816843175651e-01 -6.313127070255e-02 -1.900017098973e-01 2.117221436735e-01 -1.552275794232e-01 3*0.0 2.457275157711e-01 -2.103933754826e-01 -2.764339981971e-01 8.471770991801e-02 3.381942766330e-01 -2.575239129279e-01 1.515324990267e-01
|
||||
3*0.0 -8.963699320670e-02 9.767760393474e-02 1.797586152620e-01 -6.177864415654e-02 -1.885546929651e-01 2.085520693724e-01 -1.522820984654e-01 3*0.0 2.459581708628e-01 -2.068783574225e-01 -2.733614649757e-01 8.273087359670e-02 3.350355553165e-01 -2.533040488956e-01 1.484899443135e-01
|
||||
3*0.0 -8.964516364087e-02 9.627576378572e-02 1.778314939007e-01 -6.045156413953e-02 -1.870987678361e-01 2.054083107472e-01 -1.493784024543e-01 3*0.0 2.461024205112e-01 -2.034001833863e-01 -2.702668501528e-01 8.078281436937e-02 3.318560209587e-01 -2.491189350279e-01 1.454909755017e-01
|
||||
3*0.0 -8.964294329085e-02 9.488938451916e-02 1.759035925192e-01 -5.914961716508e-02 -1.856343839290e-01 2.022912129388e-01 -1.465162960633e-01 3*0.0 2.461620237642e-01 -1.999590588626e-01 -2.671523400797e-01 7.887301121229e-02 3.286571546109e-01 -2.449693175423e-01 1.425354892209e-01
|
||||
3*0.0 -8.963026288924e-02 9.351831237860e-02 1.739755315882e-01 -5.787239525337e-02 -1.841619841258e-01 1.992010995964e-01 -1.436955710938e-01 3*0.0 2.461387475306e-01 -1.965551682762e-01 -2.640200673013e-01 7.700094269223e-02 3.254404162344e-01 -2.408559042426e-01 1.396233642741e-01
|
||||
3*0.0 -8.960705689373e-02 9.216239736927e-02 1.720479138521e-01 -5.661949588445e-02 -1.826820051118e-01 1.961382736297e-01 -1.409160071518e-01 3*0.0 2.460343651511e-01 -1.931886754905e-01 -2.608721106929e-01 7.516608726808e-02 3.222072443079e-01 -2.367793651434e-01 1.367544622081e-01
|
||||
3*0.0 -8.957326418158e-02 9.082149312789e-02 1.701213250400e-01 -5.539052194956e-02 -1.811948776704e-01 1.931030178960e-01 -1.381773722652e-01 3*0.0 2.458506550051e-01 -1.898597243070e-01 -2.577104956406e-01 7.336792358176e-02 3.189590554624e-01 -2.327403331074e-01 1.339286278812e-01
|
||||
3*0.0 -8.952882862677e-02 8.949545679442e-02 1.681963344572e-01 -5.418508170118e-02 -1.797010269351e-01 1.900955958266e-01 -1.354794234512e-01 3*0.0 2.455893991538e-01 -1.865684389612e-01 -2.545371942625e-01 7.160593073886e-02 3.156972441408e-01 -2.287394044941e-01 1.311456900292e-01
|
||||
3*0.0 -8.947369956989e-02 8.818414888586e-02 1.662734954764e-01 -5.300278870214e-02 -1.782008726049e-01 1.871162520029e-01 -1.328219072412e-01 3*0.0 2.452523820191e-01 -1.833149246152e-01 -2.513541256698e-01 6.987958857891e-02 3.124231822830e-01 -2.247771398197e-01 1.284054618274e-01
|
||||
3*0.0 -8.940783219259e-02 8.688743317182e-02 1.643533459447e-01 -5.184326177405e-02 -1.766948291267e-01 1.841652126904e-01 -1.302045601707e-01 3*0.0 2.448413890990e-01 -1.800992678466e-01 -2.481631562653e-01 6.818837793571e-02 3.091382190356e-01 -2.208540644251e-01 1.257077414487e-01
|
||||
3*0.0 -8.933118780980e-02 8.560517655201e-02 1.624364085259e-01 -5.070612494508e-02 -1.751833058482e-01 1.812426863388e-01 -1.276271092416e-01 3*0.0 2.443582057181e-01 -1.769215371335e-01 -2.449661000781e-01 6.653178088766e-02 3.058436804859e-01 -2.169706691535e-01 1.230523126180e-01
|
||||
3*0.0 -8.924373409274e-02 8.433724893501e-02 1.605231909936e-01 -4.959100739740e-02 -1.736667071466e-01 1.783488640568e-01 -1.250892723651e-01 3*0.0 2.438046158150e-01 -1.737817833355e-01 -2.417647191323e-01 6.490928099846e-02 3.025408694189e-01 -2.131274110344e-01 1.204389451613e-01
|
||||
3*0.0 -8.914544523490e-02 8.308352311832e-02 1.586141864934e-01 -4.849754341433e-02 -1.721454325352e-01 1.754839200686e-01 -1.225907587892e-01 3*0.0 2.431824007645e-01 -1.706800401699e-01 -2.385607238483e-01 6.332036354827e-02 2.992310650976e-01 -2.093247139740e-01 1.178673955496e-01
|
||||
3*0.0 -8.903630207167e-02 8.184387466961e-02 1.567098737846e-01 -4.742537232702e-02 -1.706198767515e-01 1.726480121580e-01 -1.201312695184e-01 3*0.0 2.424933382364e-01 -1.676163246846e-01 -2.353557734750e-01 6.176451575548e-02 2.959155230654e-01 -2.055629694516e-01 1.153374074369e-01
|
||||
3*0.0 -8.891629216274e-02 8.061818180907e-02 1.548107174750e-01 -4.637413846114e-02 -1.690904298287e-01 1.698412821049e-01 -1.177104977265e-01 3*0.0 2.417392010892e-01 -1.645906377253e-01 -2.321514765513e-01 6.024122698940e-02 2.925954749709e-01 -2.018425372190e-01 1.128487121921e-01
|
||||
3*0.0 -8.878540984405e-02 7.940632529301e-02 1.529171682552e-01 -4.534349108328e-02 -1.675574771532e-01 1.670638561179e-01 -1.153281291673e-01 3*0.0 2.409217562997e-01 -1.616029643987e-01 -2.289493913951e-01 5.874998897383e-02 2.892721284134e-01 -1.981637460050e-01 1.104010294252e-01
|
||||
3*0.0 -8.864365625466e-02 7.820818829899e-02 1.510296631391e-01 -4.433308434737e-02 -1.660213995094e-01 1.643158452655e-01 -1.129838425846e-01 3*0.0 2.400427639271e-01 -1.586532745304e-01 -2.257510266183e-01 5.729029598204e-02 2.859466668097e-01 -1.945268942213e-01 1.079940675047e-01
|
||||
3*0.0 -8.849103934177e-02 7.702365631283e-02 1.491486257127e-01 -4.334257724111e-02 -1.644825731129e-01 1.615973459070e-01 -1.106773101206e-01 3*0.0 2.391039761124e-01 -1.557415231181e-01 -2.225578416671e-01 5.586164502291e-02 2.826202492806e-01 -1.909322506709e-01 1.056275240702e-01
|
||||
3*0.0 -8.832757384578e-02 7.585261701774e-02 1.472744663929e-01 -4.237163353244e-02 -1.629413696328e-01 1.589084401228e-01 -1.084081977240e-01 3*0.0 2.381071361132e-01 -1.528676507797e-01 -2.193712473842e-01 5.446353601880e-02 2.792940105576e-01 -1.873800552575e-01 1.033010865354e-01
|
||||
3*0.0 -8.815328126669e-02 7.469496018615e-02 1.454075826947e-01 -4.141992171627e-02 -1.613981562051e-01 1.562491961439e-01 -1.061761655558e-01 3*0.0 2.370539773714e-01 -1.500315841956e-01 -2.161926065937e-01 5.309547197514e-02 2.759690609086e-01 -1.838705196945e-01 1.010144325849e-01
|
||||
3*0.0 -8.796818981149e-02 7.355057757439e-02 1.435483595053e-01 -4.048711496128e-02 -1.598532954348e-01 1.536196687800e-01 -1.039808683918e-01 3*0.0 2.359462226166e-01 -1.472332365465e-01 -2.130232347059e-01 5.175695914190e-02 2.726464860825e-01 -1.804038282150e-01 9.876723066174e-02
|
||||
3*0.0 -8.777233432278e-02 7.241936282064e-02 1.416971693615e-01 -3.957289105702e-02 -1.583071453904e-01 1.510198998423e-01 -1.018219560188e-01 3*0.0 2.347855830029e-01 -1.444725079449e-01 -2.098644003408e-01 5.044750716727e-02 2.693273472714e-01 -1.769801382790e-01 9.655914044753e-02
|
||||
3*0.0 -8.756575618802e-02 7.130121134628e-02 1.398543727271e-01 -3.867693236113e-02 -1.567600595878e-01 1.484499185617e-01 -9.969907362457e-02 3*0.0 2.335737572783e-01 -1.417492858617e-01 -2.067173259692e-01 4.916662924354e-02 2.660126810910e-01 -1.735995812800e-01 9.438981333377e-02
|
||||
3*0.0 -8.734850322968e-02 7.019602026074e-02 1.380203182659e-01 -3.779892574689e-02 -1.552123869656e-01 1.459097419979e-01 -9.761186217634e-02 3*0.0 2.323124309893e-01 -1.390634455467e-01 -2.035831885704e-01 4.791384224562e-02 2.627034995777e-01 -1.702622632485e-01 9.225889288455e-02
|
||||
3*0.0 -8.712062957626e-02 6.910368827002e-02 1.361953431077e-01 -3.693856255080e-02 -1.536644718508e-01 1.433993754394e-01 -9.555995878916e-02 3*0.0 2.310032757163e-01 -1.364148504434e-01 -2.004631203044e-01 4.668866686203e-02 2.594007902029e-01 -1.669682655533e-01 9.016601529041e-02
|
||||
3*0.0 -8.688219551528e-02 6.802411558852e-02 1.343797731041e-01 -3.609553852049e-02 -1.521166539157e-01 1.409188127908e-01 -9.354299708003e-02 3*0.0 2.296479483430e-01 -1.338033525982e-01 -1.973582091981e-01 4.549062771894e-02 2.561055159028e-01 -1.637176455983e-01 8.811080981322e-02
|
||||
3*0.0 -8.663326732947e-02 6.695720385441e-02 1.325739230704e-01 -3.526955376277e-02 -1.505692681257e-01 1.384680369477e-01 -9.156060750770e-02 3*0.0 2.282480903569e-01 -1.312287930637e-01 -1.942694998438e-01 4.431925349708e-02 2.528186151241e-01 -1.605104375155e-01 8.609289922206e-02
|
||||
3*0.0 -8.637391711828e-02 6.590285604824e-02 1.307780970138e-01 -3.446031269188e-02 -1.490226446789e-01 1.360470201571e-01 -8.961241769686e-02 3*0.0 2.268053271826e-01 -1.286910022956e-01 -1.911979941097e-01 4.317407704197e-02 2.495410018849e-01 -1.573466528537e-01 8.411190021974e-02
|
||||
3*0.0 -8.610422260722e-02 6.486097641448e-02 1.289925883452e-01 -3.366752397805e-02 -1.474771089386e-01 1.336557243636e-01 -8.769805274629e-02 3*0.0 2.253212675450e-01 -1.261898005438e-01 -1.881446518596e-01 4.205463546743e-02 2.462735658501e-01 -1.542262812617e-01 8.216742386009e-02
|
||||
3*0.0 -8.582426694808e-02 6.383147038613e-02 1.272176800765e-01 -3.289090049632e-02 -1.459329813597e-01 1.312941015404e-01 -8.581713552080e-02 3*0.0 2.237975028648e-01 -1.237249982379e-01 -1.851103916830e-01 4.096047025276e-02 2.430171724209e-01 -1.511492911660e-01 8.025907595585e-02
|
||||
3*0.0 -8.553413851338e-02 6.281424451206e-02 1.254536450016e-01 -3.213015927569e-02 -1.443905774099e-01 1.289620940067e-01 -8.396928692746e-02 3*0.0 2.222356066833e-01 -1.212963963659e-01 -1.820960916328e-01 3.989112733354e-02 2.397726628384e-01 -1.481156304423e-01 7.838645747710e-02
|
||||
3*0.0 -8.523393068881e-02 6.180920638697e-02 1.237007458643e-01 -3.138502144877e-02 -1.428502074890e-01 1.266596347315e-01 -8.215412617654e-02 3*0.0 2.206371341177e-01 -1.189037868469e-01 -1.791025899694e-01 3.884615718641e-02 2.365408542996e-01 -1.451252270809e-01 7.654916494014e-02
|
||||
3*0.0 -8.492374166720e-02 6.081626458390e-02 1.219592355139e-01 -3.065521220179e-02 -1.413121768466e-01 1.243866476257e-01 -8.037127102825e-02 3*0.0 2.190036213461e-01 -1.165469528976e-01 -1.761306859124e-01 3.782511490791e-02 2.333225400874e-01 -1.421779898452e-01 7.474679078696e-02
|
||||
3*0.0 -8.460367424752e-02 5.983532858938e-02 1.202293570510e-01 -2.994046072521e-02 -1.397767855020e-01 1.221430478230e-01 -7.862033802620e-02 3*0.0 2.173365851208e-01 -1.142256693928e-01 -1.731811403963e-01 3.682756028753e-02 2.301184897112e-01 -1.392738089227e-01 7.297892375499e-02
|
||||
3*0.0 -8.427383564259e-02 5.886630874092e-02 1.185113439655e-01 -2.924050016490e-02 -1.382443281673e-01 1.199287419521e-01 -7.690094271899e-02 3*0.0 2.156375223107e-01 -1.119397032192e-01 -1.702546768308e-01 3.585305787519e-02 2.269294490609e-01 -1.364125565685e-01 7.124514923738e-02
|
||||
3*0.0 -8.393433729794e-02 5.790911616718e-02 1.168054202697e-01 -2.855506757388e-02 -1.367150941772e-01 1.177436284013e-01 -7.521269987112e-02 3*0.0 2.139079094718e-01 -1.096888136233e-01 -1.673519818650e-01 3.490117704333e-02 2.237561405714e-01 -1.335940877417e-01 6.954504963372e-02
|
||||
3*0.0 -8.358529472464e-02 5.696366273044e-02 1.151118006279e-01 -2.788390386475e-02 -1.351893674259e-01 1.155875975776e-01 -7.355522366449e-02 3*0.0 2.121492024446e-01 -1.074727525525e-01 -1.644737061530e-01 3.397149204361e-02 2.205992633982e-01 -1.308182407323e-01 6.787820469114e-02
|
||||
3*0.0 -8.322682734759e-02 5.602986097181e-02 1.134306904868e-01 -2.722675376266e-02 -1.336674263152e-01 1.134605321611e-01 -7.192812789185e-02 3*0.0 2.103628359793e-01 -1.052912649905e-01 -1.616204651229e-01 3.306358205867e-02 2.174594936035e-01 -1.280848377810e-01 6.624419183598e-02
|
||||
3*0.0 -8.285905837063e-02 5.510762405888e-02 1.117622862056e-01 -2.658336575907e-02 -1.321495437127e-01 1.113623073571e-01 -7.033102614326e-02 3*0.0 2.085502233869e-01 -1.031440892856e-01 -1.587928397449e-01 3.217703124885e-02 2.143374843521e-01 -1.253936856897e-01 6.464258649593e-02
|
||||
3*0.0 -8.248211465872e-02 5.419686573582e-02 1.101067751907e-01 -2.595349206612e-02 -1.306359869231e-01 1.092927911459e-01 -6.876353198654e-02 3*0.0 2.067127562167e-01 -1.010309574733e-01 -1.559913773007e-01 3.131142879406e-02 2.112338661177e-01 -1.227445764226e-01 6.307296241268e-02
|
||||
3*0.0 -8.209612663701e-02 5.329750027628e-02 1.084643360336e-01 -2.533688857153e-02 -1.291270176725e-01 1.072518445323e-01 -6.722525914270e-02 3*0.0 2.048518039586e-01 -9.895159559214e-02 -1.532165921525e-01 3.046636893117e-02 2.081492468973e-01 -1.201372876995e-01 6.153489194532e-02
|
||||
3*0.0 -8.170122820598e-02 5.240944243847e-02 1.068351386547e-01 -2.473331479434e-02 -1.276228921055e-01 1.052393217943e-01 -6.571582165683e-02 3*0.0 2.029687137709e-01 -9.690572399362e-02 -1.504689665101e-01 2.964145098677e-02 2.050842124352e-01 -1.175715835783e-01 6.002794636429e-02
|
||||
3*0.0 -8.129755667107e-02 5.153260742294e-02 1.052193444518e-01 -2.414253384105e-02 -1.261238607955e-01 1.032550707320e-01 -6.423483406514e-02 3*0.0 2.010648102324e-01 -9.489305764517e-02 -1.477489511963e-01 2.883627940565e-02 2.020393264548e-01 -1.150472150292e-01 5.855169613615e-02
|
||||
3*0.0 -8.088525268496e-02 5.066691083257e-02 1.036171064554e-01 -2.356431236254e-02 -1.246301687668e-01 1.012989329167e-01 -6.278191155833e-02 3*0.0 1.991413951178e-01 -9.291330642730e-02 -1.450569664102e-01 2.805046377508e-02 1.990151308991e-01 -1.125639204982e-01 5.710571119923e-02
|
||||
3*0.0 -8.046446020023e-02 4.981226863489e-02 1.020285694878e-01 -2.299842051145e-02 -1.231420555274e-01 9.937074394014e-02 -6.135667014151e-02 3*0.0 1.971997471969e-01 -9.096617542424e-02 -1.423934024868e-01 2.728361884504e-02 1.960121461775e-01 -1.101214264616e-01 5.568956123006e-02
|
||||
3*0.0 -8.003532642976e-02 4.896859712656e-02 1.004538703281e-01 -2.244463190017e-02 -1.216597551124e-01 9.747033366222e-02 -5.995872679070e-02 3*0.0 1.952411220560e-01 -8.905136520832e-02 -1.397586206534e-01 2.653536454455e-02 1.930308714214e-01 -1.077194479702e-01 5.430281590103e-02
|
||||
3*0.0 -7.959800181221e-02 4.813581289996e-02 9.889313787989e-02 -2.190272355934e-02 -1.201834961345e-01 9.559752645877e-02 -5.858769960558e-02 3*0.0 1.932667519419e-01 -8.716857211808e-02 -1.371529537814e-01 2.580532599420e-02 1.900717847449e-01 -1.053576891836e-01 5.294504512896e-02
|
||||
3*0.0 -7.915263997994e-02 4.731383281163e-02 9.734649334214e-02 -2.137247589686e-02 -1.187135018406e-01 9.375214146697e-02 -5.724320795870e-02 3*0.0 1.912778456273e-01 -8.531748853014e-02 -1.345767071334e-01 2.509313351507e-02 1.871353435133e-01 -1.030358438937e-01 5.161581931504e-02
|
||||
3*0.0 -7.869939772653e-02 4.650257395266e-02 9.581405038079e-02 -2.085367265738e-02 -1.172499901737e-01 9.193399282816e-02 -5.592487264032e-02 3*0.0 1.892755882968e-01 -8.349780312485e-02 -1.320301591052e-01 2.439842263417e-02 1.842219846166e-01 -1.007535960391e-01 5.031470957607e-02
|
||||
3*0.0 -7.823843497148e-02 4.570195362080e-02 9.429591530091e-02 -2.034610088221e-02 -1.157931738369e-01 9.014288992755e-02 -5.463231599900e-02 3*0.0 1.872611414541e-01 -8.170920114576e-02 -1.295135619620e-01 2.372083408646e-02 1.813321247492e-01 -9.851062020840e-02 4.904128796713e-02
|
||||
3*0.0 -7.776991471978e-02 4.491188929413e-02 9.279218721725e-02 -1.984955086971e-02 -1.143432603580e-01 8.837863762960e-02 -5.336516207734e-02 3*0.0 1.852356428484e-01 -7.995136465297e-02 -1.270271425680e-01 2.306001381367e-02 1.784661606948e-01 -9.630658213310e-02 4.779512769586e-02
|
||||
3*0.0 -7.729400301417e-02 4.413229860649e-02 9.130295822251e-02 -1.936381613609e-02 -1.129004521548e-01 8.664103650870e-02 -5.212303674263e-02 3*0.0 1.832002064206e-01 -7.822397277035e-02 -1.245711031102e-01 2.241561295997e-02 1.756244696161e-01 -9.414113917053e-02 4.657580332843e-02
|
||||
3*0.0 -7.681086887843e-02 4.336309932423e-02 8.982831355192e-02 -1.888869337652e-02 -1.114649465965e-01 8.492988307426e-02 -5.090556781210e-02 3*0.0 1.811559222683e-01 -7.652670192674e-02 -1.221456218148e-01 2.178728786470e-02 1.728074093491e-01 -9.201394077601e-02 4.538289098738e-02
|
||||
3*0.0 -7.632068425019e-02 4.260420932463e-02 8.836833174329e-02 -1.842398242673e-02 -1.100369360636e-01 8.324496998974e-02 -4.971238517248e-02 3*0.0 1.791038566284e-01 -7.485922609105e-02 -1.197508536557e-01 2.117470005219e-02 1.700153187019e-01 -8.992462896469e-02 4.421596854135e-02
|
||||
3*0.0 -7.582362390228e-02 4.185554657554e-02 8.692308479188e-02 -1.796948622493e-02 -1.086166080025e-01 8.158608628514e-02 -4.854312089371e-02 3*0.0 1.770450518781e-01 -7.322121700149e-02 -1.173869310563e-01 2.057751621882e-02 1.672485177572e-01 -8.787283876286e-02 4.307461578701e-02
|
||||
3*0.0 -7.531986535152e-02 4.111702911667e-02 8.549263829914e-02 -1.752501077410e-02 -1.072041449757e-01 7.995301756274e-02 -4.739740933670e-02 3*0.0 1.749805265527e-01 -7.161234438881e-02 -1.150539645826e-01 1.999540821746e-02 1.645073081781e-01 -8.585819864884e-02 4.195841462317e-02
|
||||
3*0.0 -7.480958875492e-02 4.038857504208e-02 8.407705161532e-02 -1.709036510469e-02 -1.057997247064e-01 7.834554619563e-02 -4.627488725502e-02 3*0.0 1.729112753797e-01 -7.003227619369e-02 -1.127520436280e-01 1.942805303942e-02 1.617919735178e-01 -8.388033098335e-02 4.086694921730e-02
|
||||
3*0.0 -7.429297679273e-02 3.967010248414e-02 8.267637797551e-02 -1.666536123767e-02 -1.044035201173e-01 7.676345151930e-02 -4.517519389054e-02 3*0.0 1.708382693296e-01 -6.848067877837e-02 -1.104812370895e-01 1.887513279391e-02 1.591027795320e-01 -8.193885242954e-02 3.979980616455e-02
|
||||
3*0.0 -7.377021453882e-02 3.896152959895e-02 8.129066462908e-02 -1.624981414789e-02 -1.030156993634e-01 7.520651001577e-02 -4.409797106312e-02 3*0.0 1.687624556814e-01 -6.695721713241e-02 -1.082415940355e-01 1.833633468523e-02 1.564399744936e-01 -8.003337436256e-02 3.875657463952e-02
|
||||
3*0.0 -7.324148931856e-02 3.826277455296e-02 7.991995296283e-02 -1.584354172798e-02 -1.016364258595e-01 7.367449549109e-02 -4.304286325450e-02 3*0.0 1.666847581037e-01 -6.546155507284e-02 -1.060331443635e-01 1.781135098780e-02 1.538037895102e-01 -7.816350326874e-02 3.773684654079e-02
|
||||
3*0.0 -7.270699055499e-02 3.757375551110e-02 7.856427861799e-02 -1.544636475252e-02 -1.002658583020e-01 7.216717924576e-02 -4.200951768650e-02 3*0.0 1.646060767494e-01 -6.399335543867e-02 -1.038558994493e-01 1.729987901905e-02 1.511944388434e-01 -7.632884113455e-02 3.674021662840e-02
|
||||
3*0.0 -7.216690960405e-02 3.689439062636e-02 7.722367160160e-02 -1.505810684261e-02 -9.890415068538e-02 7.068433023865e-02 -4.099758439381e-02 3*0.0 1.625272883655e-01 -6.255228027977e-02 -1.017098527861e-01 1.680162111028e-02 1.486121202303e-01 -7.452898582527e-02 3.576628265455e-02
|
||||
3*0.0 -7.162143958003e-02 3.622459803046e-02 7.589815639269e-02 -1.467859443088e-02 -9.755145231472e-02 6.922571524474e-02 -4.000671629156e-02 3*0.0 1.604492464148e-01 -6.113799104029e-02 -9.959498061425e-02 1.631628457570e-02 1.460570152056e-01 -7.276353145342e-02 3.481464548747e-02
|
||||
3*0.0 -7.107077517223e-02 3.556429582616e-02 7.458775204403e-02 -1.430765672688e-02 -9.620790781382e-02 6.779109900699e-02 -3.903656923804e-02 3*0.0 1.583727812116e-01 -5.975014873660e-02 -9.751124254042e-02 1.584358167958e-02 1.435292894260e-01 -7.103206873716e-02 3.388490922879e-02
|
||||
3*0.0 -7.051511245442e-02 3.491340208073e-02 7.329247227999e-02 -1.394512568279e-02 -9.487365713051e-02 6.638024438271e-02 -3.808680209271e-02 3*0.0 1.562987000690e-01 -5.838841412985e-02 -9.545858214750e-02 1.538322960180e-02 1.410290929948e-01 -6.933418534860e-02 3.297668132446e-02
|
||||
3*0.0 -6.995464868823e-02 3.427183482083e-02 7.201232559120e-02 -1.359083595968e-02 -9.354883553905e-02 6.499291248493e-02 -3.715707676992e-02 3*0.0 1.542277874586e-01 -5.705244789327e-02 -9.343692759371e-02 1.493495040163e-02 1.385565607874e-01 -6.766946625216e-02 3.208957266935e-02
|
||||
3*0.0 -6.938958212210e-02 3.363951202857e-02 7.074731532683e-02 -1.324462489397e-02 -9.223357364140e-02 6.362886281916e-02 -3.624705828857e-02 3*0.0 1.521608051808e-01 -5.574191077414e-02 -9.144619220147e-02 1.449847098011e-02 1.361118127777e-01 -6.603749403315e-02 3.122319770585e-02
|
||||
3*0.0 -6.882011178712e-02 3.301635163893e-02 6.949743978502e-02 -1.290633246440e-02 -9.092799736703e-02 6.228785341574e-02 -3.535641481796e-02 3*0.0 1.500984925465e-01 -5.445646375067e-02 -8.948627503593e-02 1.407352304090e-02 1.336949543638e-01 -6.443784921645e-02 3.037717451639e-02
|
||||
3*0.0 -6.824643729141e-02 3.240227153836e-02 6.826269230228e-02 -1.257580125929e-02 -8.963222797263e-02 6.096964095860e-02 -3.448481772012e-02 3*0.0 1.480415665688e-01 -5.319576818373e-02 -8.755706147282e-02 1.365984304981e-02 1.313060766947e-01 -6.287011057565e-02 2.955112491021e-02
|
||||
3*0.0 -6.766875861422e-02 3.179718956453e-02 6.704306134233e-02 -1.225287644421e-02 -8.834638204249e-02 5.967398091027e-02 -3.363194158892e-02 3*0.0 1.459907221651e-01 -5.195948596360e-02 -8.565842375575e-02 1.325717219304e-02 1.289452569960e-01 -6.133385543261e-02 2.874467450444e-02
|
||||
3*0.0 -6.708727590137e-02 3.120102350729e-02 6.583853058499e-02 -1.193740572996e-02 -8.707057148979e-02 5.840062763384e-02 -3.279746428607e-02 3*0.0 1.439466323674e-01 -5.074727965171e-02 -8.379022154279e-02 1.286525633416e-02 1.266125588953e-01 -5.982865994752e-02 2.795745279967e-02
|
||||
3*0.0 -6.650218926318e-02 3.061369111067e-02 6.464907901560e-02 -1.162923934090e-02 -8.580490355949e-02 5.714933451204e-02 -3.198106697429e-02 3*0.0 1.419099485430e-01 -4.955881261755e-02 -8.195230244232e-02 1.248384597005e-02 1.243080327476e-01 -5.835409939975e-02 2.718909325018e-02
|
||||
3*0.0 -6.591369857613e-02 3.003511007592e-02 6.347468101542e-02 -1.132822998364e-02 -8.454948083382e-02 5.591985406350e-02 -3.118243414787e-02 3*0.0 1.398813006227e-01 -4.839374917078e-02 -8.014450253800e-02 1.211269618572e-02 1.220317159583e-01 -5.690974845939e-02 2.643923332893e-02
|
||||
3*0.0 -6.532200328934e-02 2.946519806560e-02 6.231530645321e-02 -1.103423281599e-02 -8.330440124006e-02 5.471193805683e-02 -3.040125366065e-02 3*0.0 1.378612973369e-01 -4.725175468856e-02 -7.836664690311e-02 1.175156660817e-02 1.197836333070e-01 -5.549518144978e-02 2.570751458750e-02
|
||||
3*0.0 -6.472730223681e-02 2.890387270856e-02 6.117092077840e-02 -1.074710541628e-02 -8.206975806151e-02 5.352533762223e-02 -2.963721675174e-02 3*0.0 1.358505264602e-01 -4.613249573832e-02 -7.661855010384e-02 1.140022135934e-02 1.175637972683e-01 -5.410997260107e-02 2.499358271110e-02
|
||||
3*0.0 -6.412979345631e-02 2.835105160586e-02 6.004148511583e-02 -1.046670775294e-02 -8.084563995183e-02 5.235980336103e-02 -2.889001806887e-02 3*0.0 1.338495550621e-01 -4.503564019589e-02 -7.490001669195e-02 1.105842900820e-02 1.153722083325e-01 -5.275369629495e-02 2.429708756883e-02
|
||||
3*0.0 -6.352967401559e-02 2.780665233741e-02 5.892695636243e-02 -1.019290215436e-02 -7.963213095271e-02 5.121508545309e-02 -2.815935568965e-02 3*0.0 1.318589297648e-01 -4.396085735916e-02 -7.321084168643e-02 1.072596252208e-02 1.132088553234e-01 -5.142592730072e-02 2.361768325925e-02
|
||||
3*0.0 -6.292713984639e-02 2.727059246952e-02 5.782728728555e-02 -9.925553279065e-03 -7.842931051556e-02 5.009093376242e-02 -2.744493114081e-02 3*0.0 1.298791770077e-01 -4.290781805734e-02 -7.155081104446e-02 1.040259921726e-02 1.110737157157e-01 -5.012624100282e-02 2.295502815157e-02
|
||||
3*0.0 -6.232238558696e-02 2.674278956304e-02 5.674242662316e-02 -9.664528086181e-03 -7.723725352663e-02 4.898709794059e-02 -2.674644941535e-02 3*0.0 1.279108033172e-01 -4.187619475587e-02 -6.991970212151e-02 1.008812070891e-02 1.089667559487e-01 -4.885421361990e-02 2.230878492237e-02
|
||||
3*0.0 -6.171560443305e-02 2.622316118220e-02 5.567231918573e-02 -9.409695806092e-03 -7.605603033615e-02 4.790332752840e-02 -2.606361898777e-02 3*0.0 1.259542955823e-01 -4.086566165709e-02 -6.831728412077e-02 9.782312860484e-03 1.068879317397e-01 -4.760942241565e-02 2.167862058821e-02
|
||||
3*0.0 -6.110698799781e-02 2.571162490405e-02 5.461690595968e-02 -9.160927911412e-03 -7.488570679107e-02 4.683937205547e-02 -2.539615182739e-02 3*0.0 1.240101213348e-01 -3.987589479671e-02 -6.674331853173e-02 9.484965732462e-03 1.048371883936e-01 -4.639144590155e-02 2.106420653412e-02
|
||||
3*0.0 -6.049672618059e-02 2.520809832835e-02 5.357612421224e-02 -8.918098088200e-03 -7.372634427147e-02 4.579498113789e-02 -2.474376340982e-02 3*0.0 1.220787290352e-01 -3.890657213623e-02 -6.519755955823e-02 9.195873530730e-03 1.028144611107e-01 -4.519986403156e-02 2.046521853814e-02
|
||||
3*0.0 -5.988500704462e-02 2.471249908804e-02 5.254990759750e-02 -8.681082207383e-03 -7.257799973066e-02 4.476990457392e-02 -2.410617272656e-02 3*0.0 1.201605483622e-01 -3.795737365125e-02 -6.367975453589e-02 8.914834554459e-03 1.008196752922e-01 -4.403425838903e-02 1.988133679212e-02
|
||||
3*0.0 -5.927201670343e-02 2.422474486006e-02 5.153818626354e-02 -8.449758296440e-03 -7.144072573849e-02 4.376389243751e-02 -2.348310229280e-02 3*0.0 1.182559905058e-01 -3.702798141601e-02 -6.218964433891e-02 8.641651143623e-03 9.885274684203e-02 -4.289421236591e-02 1.931224591879e-02
|
||||
3*0.0 -5.865793921592e-02 2.374475337646e-02 5.054088696027e-02 -8.224006511355e-03 -7.031457052799e-02 4.277669516985e-02 -2.287427815340e-02 3*0.0 1.163654484653e-01 -3.611807968386e-02 -6.072696377649e-02 8.376129626196e-03 9.691358246700e-02 -4.177931133440e-02 1.875763498535e-02
|
||||
3*0.0 -5.804295648969e-02 2.327244243603e-02 4.955793314789e-02 -8.003709108697e-03 -6.919957804494e-02 4.180806366870e-02 -2.227942988719e-02 3*0.0 1.144892973492e-01 -3.522735496413e-02 -5.929144197892e-02 8.118080265054e-03 9.500207997303e-02 -4.068914281125e-02 1.821719751353e-02
|
||||
3*0.0 -5.742724819235e-02 2.280772991594e-02 4.858924510560e-02 -7.788750418036e-03 -6.809578800026e-02 4.085774937551e-02 -2.169829060946e-02 3*0.0 1.126278946792e-01 -3.435549609520e-02 -5.788280277322e-02 7.867317204658e-03 9.311812855877e-02 -3.962329661475e-02 1.769063148655e-02
|
||||
3*0.0 -5.681099167052e-02 2.235053378379e-02 4.763474004053e-02 -7.579016814475e-03 -6.700323592525e-02 3.992550436036e-02 -2.113059697275e-02 3*0.0 1.107815806955e-01 -3.350219431401e-02 -5.650076504874e-02 7.623658417534e-03 9.126160910591e-02 -3.858136501473e-02 1.717763935269e-02
|
||||
3*0.0 -5.619436187595e-02 2.190077210981e-02 4.669433219644e-02 -7.374396691431e-03 -6.592195322884e-02 3.901108140458e-02 -2.057608916603e-02 3*0.0 1.089506786660e-01 -3.266714332198e-02 -5.514504311257e-02 7.386925650616e-03 8.943239446618e-02 -3.756294287552e-02 1.667792802604e-02
|
||||
3*0.0 -5.557753129856e-02 2.145836307911e-02 4.576793296214e-02 -7.174780433672e-03 -6.485196725746e-02 3.811423408105e-02 -2.003451091217e-02 3*0.0 1.071354951960e-01 -3.185003934749e-02 -5.381534703497e-02 7.156944371476e-03 8.763034974493e-02 -3.656762779218e-02 1.619120888412e-02
|
||||
3*0.0 -5.496066990577e-02 2.102322500422e-02 4.485545097940e-02 -6.980060390482e-03 -6.379330135660e-02 3.723471683224e-02 -1.950560946388e-02 3*0.0 1.053363205404e-01 -3.105058120497e-02 -5.251138298493e-02 6.933543714492e-03 8.585533258122e-02 -3.559502022005e-02 1.571719776286e-02
|
||||
3*0.0 -5.434394508779e-02 2.059527633757e-02 4.395679225018e-02 -6.790130849090e-03 -6.274597493434e-02 3.637228504583e-02 -1.898913559799e-02 3*0.0 1.035534289171e-01 -3.026847035071e-02 -5.123285355593e-02 6.716556426989e-03 8.410719342439e-02 -3.464472359788e-02 1.525561494876e-02
|
||||
3*0.0 -5.372752160831e-02 2.017443568415e-02 4.307186024296e-02 -6.604888008300e-03 -6.171000352670e-02 3.552669512793e-02 -1.848484360828e-02 3*0.0 1.017870788212e-01 -2.950341093539e-02 -4.997945808207e-02 6.505818815379e-03 8.238577580687e-02 -3.371634446452e-02 1.480618516855e-02
|
||||
3*0.0 -5.311156156027e-02 1.976062181421e-02 4.220055599808e-02 -6.424229952270e-03 -6.068539886417e-02 3.469770457406e-02 -1.799249129690e-02 3*0.0 1.000375133407e-01 -2.875510985350e-02 -4.875089294462e-02 6.301170691361e-03 8.069091661333e-02 -3.280949256948e-02 1.436863757630e-02
|
||||
3*0.0 -5.249622432630e-02 1.935375367598e-02 4.134277823194e-02 -6.248056624598e-03 -5.967216893992e-02 3.388507203760e-02 -1.751183996414e-02 3*0.0 9.830496047215e-02 -2.802327678966e-02 -4.754685186923e-02 6.102455318176e-03 7.902244634593e-02 -3.192378097747e-02 1.394270573825e-02
|
||||
3*0.0 -5.188166654330e-02 1.895375040839e-02 4.049842343998e-02 -6.076269802530e-03 -5.867031807894e-02 3.308855739601e-02 -1.704265439709e-02 3*0.0 9.658963343648e-02 -2.730762426196e-02 -4.636702621380e-02 5.909519356993e-03 7.738018938582e-02 -3.105882616700e-02 1.352812761531e-02
|
||||
3*0.0 -5.126804207077e-02 1.856053135386e-02 3.966738599819e-02 -5.908773071387e-03 -5.767984700845e-02 3.230792181450e-02 -1.658470285670e-02 3*0.0 9.489173099561e-02 -2.660786766235e-02 -4.521110524721e-02 5.722212813416e-03 7.576396425054e-02 -3.021424812322e-02 1.312464554339e-02
|
||||
3*0.0 -5.065550196281e-02 1.817401607112e-02 3.884955826334e-02 -5.745471799252e-03 -5.670075292922e-02 3.154292780760e-02 -1.613775706376e-02 3*0.0 9.321143776820e-02 -2.592372529417e-02 -4.407877641903e-02 5.540388984171e-03 7.417358384759e-02 -2.938967042524e-02 1.273200621175e-02
|
||||
3*0.0 -5.004419444306e-02 1.779412434793e-02 3.804483067150e-02 -5.586273111761e-03 -5.573302958758e-02 3.079333929820e-02 -1.570159218351e-02 3*0.0 9.154892454522e-02 -2.525491840696e-02 -4.296972562044e-02 5.363904403983e-03 7.260885572381e-02 -2.858472032793e-02 1.234996063932e-02
|
||||
3*0.0 -4.943426488254e-02 1.742077621384e-02 3.725309183512e-02 -5.431085867242e-03 -5.477666734837e-02 3.005892167428e-02 -1.527598680910e-02 3*0.0 8.990434860484e-02 -2.460117122851e-02 -4.188363743625e-02 5.192618792680e-03 7.106958231075e-02 -2.779902883838e-02 1.197826414913e-02
|
||||
3*0.0 -4.882585578011e-02 1.705389195296e-02 3.647422863838e-02 -5.279820631943e-03 -5.383165326840e-02 2.933944184348e-02 -1.486072294387e-02 3*0.0 8.827785402648e-02 -2.396221099428e-02 -4.082019538846e-02 5.026395002548e-03 6.955556116590e-02 -2.703223078731e-02 1.161667634105e-02
|
||||
3*0.0 -4.821910674511e-02 1.669339211662e-02 3.570812633091e-02 -5.132389655514e-03 -5.289797117027e-02 2.863466828527e-02 -1.445558598257e-02 3*0.0 8.666957200369e-02 -2.333776797429e-02 -3.977908217133e-02 4.865098965945e-03 6.806658520969e-02 -2.628396489535e-02 1.126496106278e-02
|
||||
3*0.0 -4.761415448217e-02 1.633919753598e-02 3.495466861973e-02 -4.988706846694e-03 -5.197560171672e-02 2.794437110089e-02 -1.406036469146e-02 3*0.0 8.507962115588e-02 -2.272757549749e-02 -3.875997987810e-02 4.708599643233e-03 6.660244295835e-02 -2.555387383445e-02 1.092288637928e-02
|
||||
3*0.0 -4.701113277791e-02 1.599122933472e-02 3.421373775949e-02 -4.848687749226e-03 -5.106452248526e-02 2.726832206111e-02 -1.367485118744e-02 3*0.0 8.350810783847e-02 -2.213136997375e-02 -3.776257021962e-02 4.556768971005e-03 6.516291875250e-02 -2.484160428460e-02 1.059022454062e-02
|
||||
3*0.0 -4.641017248928e-02 1.564940894148e-02 3.348521464088e-02 -4.712249517917e-03 -5.016470804288e-02 2.660629465178e-02 -1.329884091625e-02 3*0.0 8.195512645143e-02 -2.154889091343e-02 -3.678653473492e-02 4.409481810663e-03 6.374779298148e-02 -2.414680698585e-02 1.026675194852e-02
|
||||
3*0.0 -4.581140153363e-02 1.531365810230e-02 3.276897887736e-02 -4.579310895001e-03 -4.927613002082e-02 2.595806411716e-02 -1.293213262959e-02 3*0.0 8.042075974602e-02 -2.097988094474e-02 -3.583155499393e-02 4.266615897354e-03 6.235684230340e-02 -2.346913678597e-02 9.952249121451e-03
|
||||
3*0.0 -4.521494488011e-02 1.498389889300e-02 3.206490888998e-02 -4.449792186631e-03 -4.839875718936e-02 2.532340750119e-02 -1.257452836155e-02 3*0.0 7.890507912944e-02 -2.042408582886e-02 -3.489731279247e-02 4.128051789272e-03 6.098983986090e-02 -2.280825268370e-02 9.646500658507e-03
|
||||
3*0.0 -4.462092454251e-02 1.466005373134e-02 3.137288199050e-02 -4.323615239607e-03 -4.753255553236e-02 2.470210368655e-02 -1.222583340405e-02 3*0.0 7.740814496744e-02 -1.988125447289e-02 -3.398349033975e-02 3.993672817368e-03 5.964655549259e-02 -2.216381786774e-02 9.349295202074e-03
|
||||
3*0.0 -4.402945957333e-02 1.434204538913e-02 3.069277446265e-02 -4.200703418314e-03 -4.667748832155e-02 2.409393343175e-02 -1.188585628151e-02 3*0.0 7.593000688450e-02 -1.935113894072e-02 -3.308977043833e-02 3.863365035453e-03 5.832675594017e-02 -2.153549975182e-02 9.060425399407e-03
|
||||
3*0.0 -4.344066605918e-02 1.402979700419e-02 3.002446164161e-02 -4.080981581871e-03 -4.583351619062e-02 2.349867940616e-02 -1.155440872484e-02 3*0.0 7.447070406162e-02 -1.883349446192e-02 -3.221583665693e-02 3.737017170744e-03 5.703020505124e-02 -2.092297000568e-02 8.779687863142e-03
|
||||
3*0.0 -4.285465711720e-02 1.372323209216e-02 2.936781799181e-02 -3.964376061446e-03 -4.500059720856e-02 2.291612622292e-02 -1.123130564458e-02 3*0.0 7.303026553152e-02 -1.832807943866e-02 -3.136137349610e-02 3.614520574834e-03 5.575666397772e-02 -2.032590458228e-02 8.506883130854e-03
|
||||
3*0.0 -4.227154289282e-02 1.342227455808e-02 2.872271718277e-02 -3.850814637850e-03 -4.417868695280e-02 2.234606047002e-02 -1.091636510347e-02 3*0.0 7.160871047102e-02 -1.783465545070e-02 -3.052606654691e-02 3.495769175129e-03 5.450589137005e-02 -1.974398374133e-02 8.241815623704e-03
|
||||
3*0.0 -4.169143055854e-02 1.312684870779e-02 2.808903216342e-02 -3.740226519285e-03 -4.336773858147e-02 2.178827073946e-02 -1.060940828827e-02 3*0.0 7.020604849064e-02 -1.735298725859e-02 -2.970960264285e-02 3.380659426741e-03 5.327764356694e-02 -1.917689206924e-02 7.984293604252e-03
|
||||
3*0.0 -4.111442431384e-02 1.283687925923e-02 2.746663523449e-02 -3.632542319286e-03 -4.256770290511e-02 2.124254765440e-02 -1.031025948112e-02 3*0.0 6.882227992123e-02 -1.688284280510e-02 -2.891167000507e-02 3.269090264864e-03 5.207167478091e-02 -1.862431849560e-02 7.734129133497e-03
|
||||
3*0.0 -4.054062538637e-02 1.255229135338e-02 2.685539811932e-02 -3.527694034932e-03 -4.177852845750e-02 2.070868389451e-02 -1.001874603013e-02 3*0.0 6.745739609741e-02 -1.642399321495e-02 -2.813195838111e-02 3.160963057638e-03 5.088773727944e-02 -1.808595630633e-02 7.491138027208e-03
|
||||
3*0.0 -3.997013203411e-02 1.227301056508e-02 2.625519203290e-02 -3.425615025213e-03 -4.100016156598e-02 2.018647421964e-02 -9.734698319653e-03 3*0.0 6.611137963796e-02 -1.597621279282e-02 -2.737015917730e-02 3.056181559512e-03 4.972558156189e-02 -1.756150315366e-02 7.255139811604e-03
|
||||
3*0.0 -3.940303954882e-02 1.199896291359e-02 2.566588774928e-02 -3.326239989586e-03 -4.023254642052e-02 1.967571549155e-02 -9.457949739923e-03 3*0.0 6.478420472278e-02 -1.553927901988e-02 -2.662596558492e-02 2.954651865118e-03 4.858495653209e-02 -1.705066106296e-02 7.025957678445e-03
|
||||
3*0.0 -3.883944026071e-02 1.173007487284e-02 2.508735566734e-02 -3.229504946818e-03 -3.947562514226e-02 1.917620669411e-02 -9.188336656279e-03 3*0.0 6.347583736653e-02 -1.511297254870e-02 -2.589907270031e-02 2.856282363657e-03 4.746560966675e-02 -1.655313643660e-02 6.803418439581e-03
|
||||
3*0.0 -3.827942354426e-02 1.146627338153e-02 2.451946587488e-02 -3.135347213943e-03 -3.872933785095e-02 1.868774895163e-02 -8.925698377955e-03 3*0.0 6.218623568879e-02 -1.469707719672e-02 -2.518917763909e-02 2.760983693815e-03 4.636728717949e-02 -1.606864005491e-02 6.587352481028e-03
|
||||
3*0.0 -3.772307582535e-02 1.120748585288e-02 2.396208821123e-02 -3.043705385481e-03 -3.799362273152e-02 1.821014554580e-02 -8.669877126521e-03 3*0.0 6.091535018064e-02 -1.429137993829e-02 -2.449597964459e-02 2.668668699210e-03 4.528973418083e-02 -1.559688707446e-02 6.377593716605e-03
|
||||
3*0.0 -3.717048058976e-02 1.095364018416e-02 2.341509232815e-02 -2.954519312871e-03 -3.726841609978e-02 1.774320193096e-02 -8.420718003903e-03 3*0.0 5.966312396763e-02 -1.389567089530e-02 -2.381918019067e-02 2.579252384378e-03 4.423269483384e-02 -1.513759702356e-02 6.173979541203e-03
|
||||
3*0.0 -3.662171839286e-02 1.070466476593e-02 2.287834774926e-02 -2.867730084070e-03 -3.655365246713e-02 1.728672574776e-02 -8.178068960143e-03 3*0.0 5.842949306900e-02 -1.350974332660e-02 -2.315848307908e-02 2.492651871302e-03 4.319591250574e-02 -1.469049379528e-02 5.976350783715e-03
|
||||
3*0.0 -3.607686687080e-02 1.046048849100e-02 2.235172392801e-02 -2.783280003397e-03 -3.584926460442e-02 1.684052683556e-02 -7.941780760828e-03 3*0.0 5.721438665321e-02 -1.313339361601e-02 -2.251359453145e-02 2.408786356496e-03 4.217912991532e-02 -1.425530563802e-02 5.784551659688e-03
|
||||
3*0.0 -3.553600075303e-02 1.022104076317e-02 2.183509030395e-02 -2.701112571538e-03 -3.515518360483e-02 1.640441724320e-02 -7.711706954281e-03 3*0.0 5.601772728959e-02 -1.276642125927e-02 -2.188422327615e-02 2.327577068637e-03 4.118208927625e-02 -1.383176514368e-02 5.598429723736e-03
|
||||
3*0.0 -3.499919187625e-02 9.986251505560e-03 2.132831635779e-02 -2.621172465848e-03 -3.447133894599e-02 1.597821123855e-02 -7.487703838514e-03 3*0.0 5.483943119607e-02 -1.240862884967e-02 -2.127008063003e-02 2.248947226763e-03 4.020453243636e-02 -1.341960923362e-02 5.417835821760e-03
|
||||
3*0.0 -3.446650919987e-02 9.756051168799e-03 2.083127166474e-02 -2.543405520762e-03 -3.379765855115e-02 1.556172531659e-02 -7.269630427961e-03 3*0.0 5.367940848307e-02 -1.205982206271e-02 -2.067088057533e-02 2.172821999028e-03 3.924620101291e-02 -1.301857914243e-02 5.242624043009e-03
|
||||
3*0.0 -3.393801882285e-02 9.530370738829e-03 2.034382594663e-02 -2.467758708475e-03 -3.313406884950e-02 1.515477820642e-02 -7.057348420087e-03 3*0.0 5.253756339335e-02 -1.171980963957e-02 -2.008633983170e-02 2.099128462024e-03 3.830683652380e-02 -1.262842039966e-02 5.072651672040e-03
|
||||
3*0.0 -3.341378400216e-02 9.309141744496e-03 1.986584912251e-02 -2.394180119817e-03 -3.248049483589e-02 1.475719087673e-02 -6.850722161801e-03 3*0.0 5.141379453787e-02 -1.138840336969e-02 -1.951617792371e-02 2.027795560674e-03 3.738618051492e-02 -1.224888280958e-02 4.907779140594e-03
|
||||
3*0.0 -3.289386517257e-02 9.092296264807e-03 1.939721135783e-02 -2.322618945335e-03 -3.183686012948e-02 1.436878654034e-02 -6.649618615778e-03 3*0.0 5.030799512759e-02 -1.106541807223e-02 -1.896011724376e-02 1.958754068686e-03 3.648397468355e-02 -1.187972042902e-02 4.747869979440e-03
|
||||
3*0.0 -3.237831996804e-02 8.879766935950e-03 1.893778311235e-02 -2.253025456541e-03 -3.120308703183e-02 1.398939065744e-02 -6.453907326669e-03 3*0.0 4.922005320120e-02 -1.075067157671e-02 -1.841788311069e-02 1.891936549590e-03 3.559996099788e-02 -1.152069154347e-02 4.592790770217e-03
|
||||
3*0.0 -3.186720324470e-02 8.671486957971e-03 1.848743518658e-02 -2.185350987485e-03 -3.057909658431e-02 1.361883093776e-02 -6.263460387260e-03 3*0.0 4.814985184874e-02 -1.044398470271e-02 -1.788920382404e-02 1.827277318340e-03 3.473388181278e-02 -1.117155864140e-02 4.442411097306e-03
|
||||
3*0.0 -3.136056710513e-02 8.467390101201e-03 1.804603876694e-02 -2.119547916405e-03 -2.996480862461e-02 1.325693734162e-02 -6.078152404530e-03 3*0.0 4.709726943106e-02 -1.014518123878e-02 -1.737381071433e-02 1.764712403485e-03 3.388547998170e-02 -1.083208838705e-02 4.296603499773e-03
|
||||
3*0.0 -3.085846092427e-02 8.267410712442e-03 1.761346546957e-02 -2.055569647662e-03 -2.936014184283e-02 1.290354208005e-02 -5.897860465775e-03 3*0.0 4.606217979523e-02 -9.854087920481e-03 -1.687143818925e-02 1.704179509925e-03 3.305449896495e-02 -1.050205159159e-02 4.155243423402e-03
|
||||
3*0.0 -3.036093137671e-02 8.071483720821e-03 1.718958738281e-02 -1.993370593865e-03 -2.876501383674e-02 1.255847961371e-02 -5.722464104625e-03 3*0.0 4.504445248569e-02 -9.570534407708e-03 -1.638182377602e-02 1.645617982225e-03 3.224068293426e-02 -1.018122318284e-02 4.018209172856e-03
|
||||
3*0.0 -2.986802246551e-02 7.879544643348e-03 1.677427710841e-02 -1.932906158192e-03 -2.817934116643e-02 1.222158665104e-02 -5.551845267141e-03 3*0.0 4.404395295127e-02 -9.294353261292e-03 -1.590470816002e-02 1.588968768516e-03 3.144377687365e-02 -9.869382173637e-03 3.885381863993e-03
|
||||
3*0.0 -2.937977555230e-02 7.691529590246e-03 1.636740780144e-02 -1.874132716933e-03 -2.760303940837e-02 1.189270214531e-02 -5.385888277909e-03 3*0.0 4.306054274802e-02 -9.025379918908e-03 -1.543983521977e-02 1.534174384954e-03 3.066352667685e-02 -9.566311628841e-03 3.756645376364e-03
|
||||
3*0.0 -2.889622938885e-02 7.507375269982e-03 1.596885320885e-02 -1.817007602248e-03 -2.703602320885e-02 1.157166729092e-02 -5.224479806203e-03 3*0.0 4.209407973795e-02 -8.763452670347e-03 -1.498695205845e-02 1.481178880753e-03 2.989967924111e-02 -9.271798631138e-03 3.631886305915e-03
|
||||
3*0.0 -2.841742014996e-02 7.327018993975e-03 1.557848770690e-02 -1.761489085069e-03 -2.647820633674e-02 1.125832551862e-02 -5.067508832181e-03 3*0.0 4.114441828342e-02 -8.508412632182e-03 -1.454580903199e-02 1.429927803791e-03 2.915198255754e-02 -8.985634245657e-03 3.510993917921e-03
|
||||
3*0.0 -2.794338146758e-02 7.150398681121e-03 1.519618633716e-02 -1.707536358333e-03 -2.592950173576e-02 1.095252249003e-02 -4.914866613221e-03 3*0.0 4.021140943755e-02 -8.260103721862e-03 -1.411615977392e-02 1.380368166775e-03 2.842018579807e-02 -8.707613483496e-03 3.393860100179e-03
|
||||
3*0.0 -2.747414446625e-02 6.977452861933e-03 1.482182484144e-02 -1.655109520291e-03 -2.538982157598e-02 1.065410609131e-02 -4.766446650293e-03 3*0.0 3.929490113032e-02 -8.018372631270e-03 -1.369776121705e-02 1.332448413972e-03 2.770403939904e-02 -8.437535264216e-03 3.280379316471e-03
|
||||
3*0.0 -2.700973779962e-02 6.808120682462e-03 1.445527969535e-02 -1.604169558099e-03 -2.485907730485e-02 1.036292642605e-02 -4.622144654475e-03 3*0.0 3.839473835059e-02 -7.783068799787e-03 -1.329037361208e-02 1.286118388500e-03 2.700329514142e-02 -8.175202377373e-03 3.170448560330e-03
|
||||
3*0.0 -2.655018768821e-02 6.642341907968e-03 1.409642814064e-02 -1.554678331563e-03 -2.433717969743e-02 1.007883580723e-02 -4.481858513572e-03 3*0.0 3.751076332397e-02 -7.554044386881e-03 -1.289376054335e-02 1.241329300180e-03 2.631770622787e-02 -7.920421443144e-03 3.063967309119e-03
|
||||
3*0.0 -2.609551795812e-02 6.480056926209e-03 1.374514821642e-02 -1.506598557166e-03 -2.382403890613e-02 9.801688748705e-03 -4.345488258897e-03 3*0.0 3.664281568651e-02 -7.331154244262e-03 -1.250768894163e-02 1.198033693939e-03 2.564702735650e-02 -7.673002872122e-03 2.960837478450e-03
|
||||
3*0.0 -2.564575008085e-02 6.321206750551e-03 1.340131878905e-02 -1.459893792198e-03 -2.331956450971e-02 9.531341955680e-03 -4.212936032166e-03 3*0.0 3.579073265437e-02 -7.114255887642e-03 -1.213192909432e-02 1.156185418763e-03 2.499101479160e-02 -7.432760824324e-03 2.860963376954e-03
|
||||
3*0.0 -2.520090321398e-02 6.165733022828e-03 1.306481958086e-02 -1.414528419156e-03 -2.282366556163e-02 9.267654314745e-03 -4.084106052589e-03 3*0.0 3.495434918933e-02 -6.903209468111e-03 -1.176625465289e-02 1.115739597207e-03 2.434942643116e-02 -7.199513167482e-03 2.764251661425e-03
|
||||
3*0.0 -2.476099424276e-02 6.013578015736e-03 1.273553119776e-02 -1.370467630352e-03 -2.233625063758e-02 9.010486883051e-03 -3.958904584085e-03 3*0.0 3.413349816031e-02 -6.697877743176e-03 -1.141044263792e-02 1.076652595436e-03 2.372202187147e-02 -6.973081434671e-03 2.670611292344e-03
|
||||
3*0.0 -2.432603782247e-02 5.864684635195e-03 1.241333515554e-02 -1.327677412669e-03 -2.185722788267e-02 8.759702876933e-03 -3.837239902729e-03 3*0.0 3.332801050073e-02 -6.498126047487e-03 -1.106427344160e-02 1.038881993815e-03 2.310856246866e-02 -6.753290781325e-03 2.579953489805e-03
|
||||
3*0.0 -2.389604642157e-02 5.718996422348e-03 1.209811390508e-02 -1.286124532550e-03 -2.138650505732e-02 8.515167659790e-03 -3.719022264345e-03 3*0.0 3.253771536203e-02 -6.303822263272e-03 -1.072753082798e-02 1.002386558033e-03 2.250881139737e-02 -6.539969941697e-03 2.492191689866e-03
|
||||
3*0.0 -2.347103036545e-02 5.576457555180e-03 1.178975085639e-02 -1.245776521213e-03 -2.092398958292e-02 8.276748729541e-03 -3.604163872314e-03 3*0.0 3.176244026308e-02 -6.114836790517e-03 -1.040000193092e-02 9.671262107513e-04 2.192253370659e-02 -6.332951184813e-03 2.407241501307e-03
|
||||
3*0.0 -2.305099788081e-02 5.437012850021e-03 1.148813040143e-02 -1.206601659997e-03 -2.046958858640e-02 8.044315705249e-03 -3.492578845574e-03 3*0.0 3.100201123569e-02 -5.931042516913e-03 -1.008147724995e-02 9.330620037898e-04 2.134949637261e-02 -6.132070269974e-03 2.325020662848e-03
|
||||
3*0.0 -2.263595514051e-02 5.300607762742e-03 1.119313793591e-02 -1.168568965968e-03 -2.002320894407e-02 7.817740313422e-03 -3.384183186869e-03 3*0.0 3.025625296621e-02 -5.752314787595e-03 -9.771750644025e-03 9.001560908244e-04 2.078946834931e-02 -5.937166401843e-03 2.245449000800e-03
|
||||
3*0.0 -2.222590630896e-02 5.167188389646e-03 1.090465987984e-02 -1.131648177710e-03 -1.958475732472e-02 7.596896373594e-03 -3.278894751179e-03 3*0.0 2.952498893328e-02 -5.578531374695e-03 -9.470619323308e-03 8.683717006068e-04 2.024222061575e-02 -5.748082185175e-03 2.168448387192e-03
|
||||
3*0.0 -2.182085358779e-02 5.036701468155e-03 1.062258369704e-02 -1.095809741270e-03 -1.915414023179e-02 7.381659783442e-03 -3.176633214409e-03 3*0.0 2.880804154170e-02 -5.409572446749e-03 -9.177883839123e-03 8.376731106936e-04 1.970752622107e-02 -5.564663579233e-03 2.093942698350e-03
|
||||
3*0.0 -2.142079726186e-02 4.909094377171e-03 1.034679791350e-02 -1.061024796366e-03 -1.873126404467e-02 7.171908503441e-03 -3.077320042288e-03 3*0.0 2.810523225249e-02 -5.245320537951e-03 -8.893348072046e-03 8.080256216829e-04 1.918516032693e-02 -5.386759851922e-03 2.021857773975e-03
|
||||
3*0.0 -2.102573574556e-02 4.784315137273e-03 1.007719213471e-02 -1.027265162727e-03 -1.831603505924e-02 6.967522540888e-03 -2.980878459539e-03 3*0.0 2.741638170928e-02 -5.085660517311e-03 -8.616819218303e-03 7.793955319513e-04 1.867490024733e-02 -5.214223533697e-03 1.952121376688e-03
|
||||
3*0.0 -2.063550142673e-02 4.662313891206e-03 9.813626395273e-03 -9.945028942437e-04 -1.790826490159e-02 6.768367437397e-03 -2.887228258088e-03 3*0.0 2.674130986090e-02 -4.930479557711e-03 -8.348107774525e-03 7.517501128865e-04 1.817652548604e-02 -5.046910371278e-03 1.884663152086e-03
|
||||
3*0.0 -2.025043740414e-02 4.543036883617e-03 9.556056041137e-03 -9.627119847578e-04 -1.750805791967e-02 6.574361266957e-03 -2.796306673487e-03 3*0.0 2.607983608032e-02 -4.779667104895e-03 -8.087027520935e-03 7.250575846099e-04 1.768981777162e-02 -4.884679281212e-03 1.819414589284e-03
|
||||
3*0.0 -1.987035184915e-02 4.426435615653e-03 9.304341003384e-03 -9.318657913157e-04 -1.711521658535e-02 6.385372492257e-03 -2.708036583432e-03 3*0.0 2.543177927998e-02 -4.633114846412e-03 -7.833395503054e-03 6.992870921838e-04 1.721456109007e-02 -4.727392303313e-03 1.756308981974e-03
|
||||
3*0.0 -1.949523611707e-02 4.312460673878e-03 9.058375356611e-03 -9.019387214641e-04 -1.672964723023e-02 6.201289139229e-03 -2.622347945072e-03 3*0.0 2.479695802356e-02 -4.490716680520e-03 -7.587032011983e-03 6.744086822969e-04 1.675054171524e-02 -4.574914554032e-03 1.695281389989e-03
|
||||
3*0.0 -1.912507993257e-02 4.201063283573e-03 8.818054326572e-03 -8.729057975065e-04 -1.635125629402e-02 6.022001195259e-03 -2.539172324363e-03 3*0.0 2.417519063416e-02 -4.352368685088e-03 -7.347760563347e-03 6.503932804230e-04 1.629754823700e-02 -4.427114179770e-03 1.636268601388e-03
|
||||
3*0.0 -1.875987143571e-02 4.092195307495e-03 8.583274301147e-03 -8.447426440155e-04 -1.597995035905e-02 5.847400590836e-03 -2.458442866839e-03 3*0.0 2.356629529904e-02 -4.217969086497e-03 -7.115407874968e-03 6.272126684458e-04 1.585537158718e-02 -4.283862310190e-03 1.579209095057e-03
|
||||
3*0.0 -1.839959722763e-02 3.985809244372e-03 8.353932840335e-03 -8.174254755315e-04 -1.561563618392e-02 5.677381180724e-03 -2.380094268635e-03 3*0.0 2.297009017091e-02 -4.087418228573e-03 -6.889803843323e-03 6.048394627456e-04 1.542380506352e-02 -4.145033011532e-03 1.524043003840e-03
|
||||
3*0.0 -1.804424241611e-02 3.881858227222e-03 8.129928685271e-03 -7.909310844376e-04 -1.525822073605e-02 5.511838724904e-03 -2.304062747795e-03 3*0.0 2.238639346587e-02 -3.960618541549e-03 -6.670781518876e-03 5.832470927406e-04 1.500264435139e-02 -4.010503239995e-03 1.470712078186e-03
|
||||
3*0.0 -1.769379066077e-02 3.780296021425e-03 7.911161766375e-03 -7.652368290674e-04 -1.490761122355e-02 5.350670869167e-03 -2.230286015919e-03 3*0.0 2.181502355793e-02 -3.837474511097e-03 -6.458177080318e-03 5.624097798766e-04 1.459168754367e-02 -3.880152795184e-03 1.419159650340e-03
|
||||
3*0.0 -1.734822421789e-02 3.681077022643e-03 7.697533210527e-03 -7.403206219712e-04 -1.456371512576e-02 5.193777125460e-03 -2.158703250077e-03 3*0.0 2.125579907037e-02 -3.717892647422e-03 -6.251829807804e-03 5.423025170604e-04 1.419073515858e-02 -3.753864273667e-03 1.369330599052e-03
|
||||
3*0.0 -1.700752398486e-02 3.584156254524e-03 7.488945347399e-03 -7.161609183224e-04 -1.422644022303e-02 5.041058851856e-03 -2.089255065017e-03 3*0.0 2.070853896374e-02 -3.601781454450e-03 -6.051582055233e-03 5.229010485293e-04 1.379959015561e-02 -3.631523022670e-03 1.321171314827e-03
|
||||
3*0.0 -1.667166954417e-02 3.489489366243e-03 7.285301714882e-03 -6.927367046193e-04 -1.389569462560e-02 4.892419232484e-03 -2.021883485729e-03 3*0.0 2.017306262080e-02 -3.489051399111e-03 -5.857279221632e-03 5.041818501508e-04 1.341805794965e-02 -3.513017093922e-03 1.274629665702e-03
|
||||
3*0.0 -1.634063920695e-02 3.397032629842e-03 7.086507063718e-03 -6.700274874296e-04 -1.357138680126e-02 4.747763256987e-03 -1.956531920278e-03 3*0.0 1.964918992825e-02 -3.379614880745e-03 -5.668769721705e-03 4.861221101478e-04 1.304594642332e-02 -3.398237197692e-03 1.229654963567e-03
|
||||
3*0.0 -1.601441005591e-02 3.306742937394e-03 6.892467361260e-03 -6.480132824312e-04 -1.325342560226e-02 4.606997699926e-03 -1.893145132967e-03 3*0.0 1.913674135544e-02 -3.273386200632e-03 -5.485904955595e-03 4.686997102404e-04 1.268306593751e-02 -3.287076657022e-03 1.186197931010e-03
|
||||
3*0.0 -1.569295798789e-02 3.218577798036e-03 6.703089794467e-03 -6.266746035650e-04 -1.294172029122e-02 4.470031099911e-03 -1.831669217826e-03 3*0.0 1.863553803004e-02 -3.170281531657e-03 -5.308539277917e-03 4.518932072008e-04 1.232922934031e-02 -3.179431362200e-03 1.144210668698e-03
|
||||
3*0.0 -1.537625775567e-02 3.132495334781e-03 6.518282772092e-03 -6.059924524015e-04 -1.263618056596e-02 4.336773738636e-03 -1.772051572401e-03 3*0.0 1.814540181075e-02 -3.070218888142e-03 -5.136529966117e-03 4.356818148133e-04 1.198425197421e-02 -3.075199725473e-03 1.103646623301e-03
|
||||
3*0.0 -1.506428300931e-02 3.048454281291e-03 6.337955926144e-03 -5.859483076341e-04 -1.233671658354e-02 4.207137619623e-03 -1.714240871905e-03 3*0.0 1.766615535711e-02 -2.973118095829e-03 -4.969737188200e-03 4.200453862336e-04 1.164795168182e-02 -2.974282636031e-03 1.064460555935e-03
|
||||
3*0.0 -1.475700633680e-02 2.966413978312e-03 6.162020112614e-03 -5.665241148208e-04 -1.204323898328e-02 4.081036446930e-03 -1.658187043647e-03 3*0.0 1.719762219646e-02 -2.878900762043e-03 -4.808023969879e-03 4.049643967418e-04 1.132014880995e-02 -2.876583415290e-03 1.026608511143e-03
|
||||
3*0.0 -1.445439930413e-02 2.886334370175e-03 5.990387411468e-03 -5.477022762512e-04 -1.175565890882e-02 3.958385603723e-03 -1.603841241835e-03 3*0.0 1.673962678810e-02 -2.787490246044e-03 -4.651256161190e-03 3.904199268820e-04 1.100066621225e-02 -2.782007772462e-03 9.900477864057e-04
|
||||
3*0.0 -1.415643249464e-02 2.808176001001e-03 5.822971125998e-03 -5.294656409854e-04 -1.147388802943e-02 3.839102130717e-03 -1.551155822680e-03 3*0.0 1.629199458469e-02 -2.698811629567e-03 -4.499302402626e-03 3.763936459830e-04 1.068932925045e-02 -2.690463760472e-03 9.547369021770e-04
|
||||
3*0.0 -1.386307554775e-02 2.731900010864e-03 5.659685781491e-03 -5.117974950771e-04 -1.119783856004e-02 3.723104704500e-03 -1.500084319851e-03 3*0.0 1.585455209097e-02 -2.612791687574e-03 -4.352034090822e-03 3.628677960528e-04 1.038596579411e-02 -2.601861732193e-03 9.206355724456e-04
|
||||
3*0.0 -1.357429719703e-02 2.657468131787e-03 5.500447123261e-03 -4.946815519633e-04 -1.092742328083e-02 3.610313615829e-03 -1.450581420246e-03 3*0.0 1.542712691988e-02 -2.529358859213e-03 -4.209325343842e-03 3.498251760428e-04 1.009040621911e-02 -2.516114297054e-03 8.877046758182e-04
|
||||
3*0.0 -1.329006530755e-02 2.584842683637e-03 5.345172114092e-03 -4.781019430196e-04 -1.066255555561e-02 3.500650747823e-03 -1.402602940119e-03 3*0.0 1.500954784606e-02 -2.448443219006e-03 -4.071052966106e-03 3.372491264727e-04 9.802483404791e-03 -2.433136278006e-03 8.559062271221e-04
|
||||
3*0.0 -1.301034691254e-02 2.513986569903e-03 5.193778931058e-03 -4.620432083041e-04 -1.040314934947e-02 3.394039554195e-03 -1.356105801529e-03 3*0.0 1.460164485685e-02 -2.369976448262e-03 -3.937096412996e-03 3.251235144130e-04 9.522032729882e-03 -2.352844668880e-03 8.252033495250e-04
|
||||
3*0.0 -1.273510824935e-02 2.444863273385e-03 5.046186961827e-03 -4.464902873879e-04 -1.014911924556e-02 3.290405037318e-03 -1.311048009140e-03 3*0.0 1.420324920081e-02 -2.293891806731e-03 -3.807337755181e-03 3.134327188162e-04 9.248892067181e-03 -2.275158592132e-03 7.955602471662e-04
|
||||
3*0.0 -1.246431479483e-02 2.377436851714e-03 4.902316800400e-03 -4.314285104772e-04 -9.900380461053e-03 3.189673726407e-03 -1.267388627351e-03 3*0.0 1.381419343383e-02 -2.220124104499e-03 -3.681661642695e-03 3.021616161926e-04 8.982901777097e-03 -2.199999257003e-03 7.669421782975e-04
|
||||
3*0.0 -1.219793129981e-02 2.311671932837e-03 4.762090242337e-03 -4.168435895765e-04 -9.656848862190e-03 3.091773655612e-03 -1.225087757753e-03 3*0.0 1.343431146291e-02 -2.148609674138e-03 -3.559955268805e-03 2.912955666240e-04 8.723904700056e-03 -2.127289918096e-03 7.393154289301e-04
|
||||
3*0.0 -1.193592182306e-02 2.247533710424e-03 4.625430279490e-03 -4.027216098818e-04 -9.418440978696e-03 2.996634342195e-03 -1.184106516965e-03 3*0.0 1.306343858757e-02 -2.079286343112e-03 -3.442108333708e-03 2.808204001093e-04 8.471746147839e-03 -2.056955834381e-03 7.126472869815e-04
|
||||
3*0.0 -1.167824976453e-02 2.184987939121e-03 4.492261094290e-03 -3.890490212990e-04 -9.185074017278e-03 2.904186764685e-03 -1.144407014767e-03 3*0.0 1.270141153909e-02 -2.012093406449e-03 -3.328013008071e-03 2.707224032353e-04 8.226273893878e-03 -1.988924228640e-03 6.869060169203e-04
|
||||
3*0.0 -1.142487789780e-02 2.124000929773e-03 4.362508053560e-03 -3.758126301342e-04 -8.956665874424e-03 2.814363341087e-03 -1.105952332596e-03 3*0.0 1.234806851751e-02 -1.946971599679e-03 -3.217563896476e-03 2.609883061686e-04 7.987338162560e-03 -1.923124247363e-03 6.620608349037e-04
|
||||
3*0.0 -1.117576840201e-02 2.064539544553e-03 4.236097701927e-03 -3.629995909285e-04 -8.733135148429e-03 2.727097907141e-03 -1.068706502380e-03 3*0.0 1.200324922644e-02 -1.883863072047e-03 -3.110658000771e-03 2.516052699609e-04 7.754791617571e-03 -1.859486921094e-03 6.380818844023e-04
|
||||
3*0.0 -1.093088289305e-02 2.006571192038e-03 4.112957754812e-03 -3.505973984712e-04 -8.514401150814e-03 2.642325694697e-03 -1.032634485701e-03 3*0.0 1.166679490591e-02 -1.822711360008e-03 -3.007194683372e-03 2.425608741627e-04 7.528489349328e-03 -1.797945125248e-03 6.149402123089e-04
|
||||
3*0.0 -1.069018245402e-02 1.950063822157e-03 3.993017091074e-03 -3.385938799094e-04 -8.300383916790e-03 2.559983310035e-03 -9.977021532944e-04 3*0.0 1.133854836303e-02 -1.763461361003e-03 -2.907075630541e-03 2.338431047399e-04 7.308288861540e-03 -1.738433541391e-03 5.926077455251e-04
|
||||
3*0.0 -1.045362766517e-02 1.894985921167e-03 3.876205745268e-03 -3.269771870728e-04 -8.091004215345e-03 2.480008712437e-03 -9.638762649179e-04 3*0.0 1.101835400079e-02 -1.706059307522e-03 -2.810204815665e-03 2.254403422867e-04 7.094050056917e-03 -1.680888619006e-03 5.710572680219e-04
|
||||
3*0.0 -1.022117863312e-02 1.841306506512e-03 3.762454899570e-03 -3.157357888846e-04 -7.886183558486e-03 2.402341192766e-03 -9.311244495124e-04 3*0.0 1.070605784484e-02 -1.650452741458e-03 -2.716488462560e-03 2.173413505300e-04 6.885635222092e-03 -1.625248537735e-03 5.502623983683e-04
|
||||
3*0.0 -9.992795019463e-03 1.788995121635e-03 3.651696875385e-03 -3.048584639699e-04 -7.685844209869e-03 2.326921352105e-03 -8.994151857149e-04 3*0.0 1.040150756842e-02 -1.596590488763e-03 -2.625835008831e-03 2.095352651192e-04 6.682909011772e-03 -1.571453170113e-03 5.301975677221e-04
|
||||
3*0.0 -9.768436068760e-03 1.738021830769e-03 3.543865124667e-03 -2.943342933636e-04 -7.489909192829e-03 2.253691080640e-03 -8.687177827176e-04 3*0.0 1.010455251548e-02 -1.544422634390e-03 -2.538155069303e-03 2.020115826962e-04 6.485738432158e-03 -1.519444044792e-03 5.108379982798e-04
|
||||
3*0.0 -9.548060635926e-03 1.688357213610e-03 3.438894220959e-03 -2.841526534102e-04 -7.298302297833e-03 2.182593536589e-03 -8.390023614399e-04 3*0.0 9.815043721966e-03 -1.493900497544e-03 -2.453361399550e-03 1.947601502391e-04 6.293992823677e-03 -1.469164310263e-03 4.921596821773e-04
|
||||
3*0.0 -9.331627212988e-03 1.639972360056e-03 3.336719850136e-03 -2.743032087519e-04 -7.110948089310e-03 2.113573125303e-03 -8.102398360370e-04 3*0.0 9.532833935419e-03 -1.444976607234e-03 -2.371368859545e-03 1.877711546762e-04 6.107543843050e-03 -1.420558699081e-03 4.741393608378e-04
|
||||
3*0.0 -9.119093955309e-03 1.592838864829e-03 3.237278800963e-03 -2.647759054835e-04 -6.927771911936e-03 2.046575478446e-03 -7.824018957451e-04 3*0.0 9.257777632865e-03 -1.397604678132e-03 -2.292094377451e-03 1.810351127624e-04 5.926265444737e-03 -1.373573492586e-03 4.567545047603e-04
|
||||
3*0.0 -8.910418707198e-03 1.546928822051e-03 3.140508955372e-03 -2.555609644245e-04 -6.748699896334e-03 1.981547433338e-03 -7.554609870040e-04 3*0.0 8.989731037077e-03 -1.351739586735e-03 -2.215456913560e-03 1.745428612145e-04 5.750033861788e-03 -1.328156486137e-03 4.399832937438e-04
|
||||
3*0.0 -8.705559026949e-03 1.502214819911e-03 3.046349278557e-03 -2.466488745375e-04 -6.573658964331e-03 1.918437012579e-03 -7.293902959955e-04 3*0.0 8.728552131250e-03 -1.307337347840e-03 -2.141377424421e-03 1.682855470999e-04 5.578727586129e-03 -1.284256954854e-03 4.238045975405e-04
|
||||
3*0.0 -8.504472211401e-03 1.458669935148e-03 2.954739808856e-03 -2.380303865174e-04 -6.402576833715e-03 1.857193403685e-03 -7.041637314057e-04 3*0.0 8.474100672134e-03 -1.264355091329e-03 -2.069778827157e-03 1.622546184723e-04 5.412227348324e-03 -1.241825619861e-03 4.081979569329e-04
|
||||
3*0.0 -8.307115319832e-03 1.416267727588e-03 2.865621647479e-03 -2.296965064198e-04 -6.235382022338e-03 1.797766938966e-03 -6.797559075581e-04 3*0.0 8.226238201673e-03 -1.222751039267e-03 -2.000585963993e-03 1.564418152510e-04 5.250416096834e-03 -1.200814615053e-03 3.931435652281e-04
|
||||
3*0.0 -8.113445197439e-03 1.374982234663e-03 2.778936948039e-03 -2.216384894992e-04 -6.072003851942e-03 1.740109075565e-03 -6.561421278441e-04 3*0.0 7.984828057196e-03 -1.182484483306e-03 -1.933725567010e-03 1.508391603376e-04 5.093178976805e-03 -1.161177454360e-03 3.786222501651e-04
|
||||
3*0.0 -7.923418498221e-03 1.334787965923e-03 2.694628905935e-03 -2.138478341272e-04 -5.912372451384e-03 1.684172375659e-03 -6.332983684686e-04 3*0.0 7.749735380207e-03 -1.143515762412e-03 -1.869126223145e-03 1.454389509650e-04 4.940403308416e-03 -1.122868999536e-03 3.646154562265e-04
|
||||
3*0.0 -7.736991707384e-03 1.295659897472e-03 2.612641747615e-03 -2.063162758711e-04 -5.756418759630e-03 1.629910486938e-03 -6.112012625024e-04 3*0.0 7.520827123813e-03 -1.105806240901e-03 -1.806718339441e-03 1.402337502750e-04 4.791978564818e-03 -1.085845428455e-03 3.511052273511e-04
|
||||
3*0.0 -7.554121163241e-03 1.257573466471e-03 2.532920719691e-03 -1.990357816534e-04 -5.604074527971e-03 1.577278123106e-03 -5.898280842418e-04 3*0.0 7.297972058843e-03 -1.069318286788e-03 -1.746434108572e-03 1.352163791178e-04 4.647796349680e-03 -1.050064203914e-03 3.380741900400e-04
|
||||
3*0.0 -7.374763078609e-03 1.220504565568e-03 2.455412077955e-03 -1.919985440799e-04 -5.455272322201e-03 1.526231044754e-03 -5.691567338755e-04 3*0.0 7.081040778692e-03 -1.034015250453e-03 -1.688207474647e-03 1.303799080706e-04 4.507750374381e-03 -1.015484042955e-03 3.255055368506e-04
|
||||
3*0.0 -7.198873561717e-03 1.184429537328e-03 2.380063076265e-03 -1.851969758339e-04 -5.309945524121e-03 1.476726040287e-03 -5.491657224086e-04 3*0.0 6.869905702938e-03 -9.998614436196e-04 -1.631974099304e-03 1.257176496690e-04 4.371736434872e-03 -9.820648866941e-04 3.133830102724e-04
|
||||
3*0.0 -7.026408636649e-03 1.149325168731e-03 2.306821955373e-03 -1.786237042371e-04 -5.168028332880e-03 1.428720907191e-03 -5.298341569689e-04 3*0.0 6.664441079769e-03 -9.668221186495e-04 -1.577671328118e-03 1.212231508469e-04 4.239652388225e-03 -9.497678706553e-04 3.016908869782e-04
|
||||
3*0.0 -6.857324263310e-03 1.115168685555e-03 2.235637931650e-03 -1.722715658943e-04 -5.029455765767e-03 1.382174433377e-03 -5.111417263150e-04 3*0.0 6.464522987275e-03 -9.348634481496e-04 -1.525238157316e-03 1.168901855816e-04 4.111398128906e-03 -9.185552956197e-04 2.904139624456e-04
|
||||
3*0.0 -6.691576356920e-03 1.081937746904e-03 2.166461185706e-03 -1.661336014465e-04 -4.894163658794e-03 1.337046378821e-03 -4.930686866817e-04 3*0.0 6.270029333619e-03 -9.039525048908e-04 -1.474615200823e-03 1.127127477372e-04 3.986875564782e-03 -8.883905989727e-04 2.795375359417e-04
|
||||
3*0.0 -6.529120807077e-03 1.049610439537e-03 2.099242851034e-03 -1.602030504726e-04 -4.762088666784e-03 1.293297457359e-03 -4.755958478921e-04 3*0.0 6.080839856160e-03 -8.740572420407e-04 -1.425744657633e-03 1.086850441040e-04 3.865988592900e-03 -8.592383265576e-04 2.690473958655e-04
|
||||
3*0.0 -6.369913496350e-03 1.018165272394e-03 2.033935002513e-03 -1.544733464599e-04 -4.633168263266e-03 1.250889318727e-03 -4.587045597590e-04 3*0.0 5.896836119534e-03 -8.451464737066e-04 -1.378570279535e-03 1.048014876287e-04 3.748643075046e-03 -8.310641050295e-04 2.589298054419e-04
|
||||
3*0.0 -6.213910318425e-03 9.875811710336e-04 1.970490644901e-03 -1.489381119031e-04 -4.507340739994e-03 1.209784530813e-03 -4.423766987586e-04 3*0.0 5.717901512758e-03 -8.171898557884e-04 -1.333037339181e-03 1.010566908305e-04 3.634746813123e-03 -8.038346147066e-04 2.491714887608e-04
|
||||
3*0.0 -6.061067195835e-03 9.578374721013e-04 1.908863701295e-03 -1.435911535058e-04 -4.384545206146e-03 1.169946562116e-03 -4.265946549829e-04 3*0.0 5.543921245381e-03 -7.901578671409e-04 -1.289092598511e-03 9.744545940024e-05 3.524209524350e-03 -7.775175629173e-04 2.397596171569e-04
|
||||
3*0.0 -5.911340097243e-03 9.289139177823e-04 1.849009001549e-03 -1.384264574765e-04 -4.264721587224e-03 1.131339764387e-03 -4.113413193404e-04 3*0.0 5.374782342716e-03 -7.640217910428e-04 -1.246684277549e-03 9.396278597663e-05 3.416942816316e-03 -7.520816578379e-04 2.306817959217e-04
|
||||
3*0.0 -5.764685054280e-03 9.007906503280e-04 1.790882270669e-03 -1.334381849467e-04 -4.147810623781e-03 1.093929355605e-03 -3.966000710692e-04 3*0.0 5.210373640203e-03 -7.387536969721e-04 -1.205762023564e-03 9.060384409734e-05 3.312860161906e-03 -7.274965828205e-04 2.219260513438e-04
|
||||
3*0.0 -5.621058178007e-03 8.734482065179e-04 1.734440117207e-03 -1.286206674698e-04 -4.033753869593e-03 1.057681403044e-03 -3.823547654537e-04 3*0.0 5.050585776923e-03 -7.143264226855e-04 -1.166276880607e-03 8.736398231951e-05 3.211876874118e-03 -7.037329712043e-04 2.134808180711e-04
|
||||
3*0.0 -5.480415674939e-03 8.468675121873e-04 1.679640021638e-03 -1.239684026416e-04 -3.922493689990e-03 1.022562806601e-03 -3.685897218443e-04 3*0.0 4.895311188307e-03 -6.907135565997e-04 -1.128181259434e-03 8.423871850625e-05 3.113910080784e-03 -6.807623816091e-04 2.053349267883e-04
|
||||
3*0.0 -5.342713862596e-03 8.210298768188e-04 1.626440324712e-03 -1.194760497614e-04 -3.813973259454e-03 9.885412823734e-04 -3.552897119133e-04 3*0.0 4.744444098075e-03 -6.678894204746e-04 -1.091428907809e-03 8.122373427533e-05 3.018878699225e-03 -6.585572737056e-04 1.974775922048e-04
|
||||
3*0.0 -5.207909184760e-03 7.959169879841e-04 1.574800215864e-03 -1.151384256787e-04 -3.708136559337e-03 9.555853464400e-04 -3.424399481542e-04 3*0.0 4.597880509428e-03 -6.458290523932e-04 -1.055974881200e-03 7.831486960593e-05 2.926703410845e-03 -6.370909844589e-04 1.898984013466e-04
|
||||
3*0.0 -5.075958226238e-03 7.715109060066e-04 1.524679721583e-03 -1.109505006582e-04 -3.604928375166e-03 9.236642988656e-04 -3.300260726481e-04 3*0.0 4.455518195537e-03 -6.245081900396e-04 -1.021775513870e-03 7.550811759991e-05 2.837306635693e-03 -6.163377048409e-04 1.825873021465e-04
|
||||
3*0.0 -4.946817727241e-03 7.477940585204e-04 1.476039693814e-03 -1.069073943647e-04 -3.504294293792e-03 8.927482079264e-04 -3.180341460517e-04 3*0.0 4.317256689355e-03 -6.039032542704e-04 -9.887883903581e-04 7.279961939379e-05 2.750612506995e-03 -5.962724570077e-04 1.755345923271e-04
|
||||
3*0.0 -4.820444597406e-03 7.247492351042e-04 1.428841798393e-03 -1.030043719394e-04 -3.406180700224e-03 8.628078945431e-04 -3.064506368389e-04 3*0.0 4.182997272783e-03 -5.839913329778e-04 -9.569723173706e-04 7.018565921786e-05 2.666546845685e-03 -5.768710719358e-04 1.687309085711e-04
|
||||
3*0.0 -4.696795929375e-03 7.023595819171e-04 1.383048503487e-03 -9.923684015880e-05 -3.310534774343e-03 8.338149169590e-04 -2.952624107692e-04 3*0.0 4.052642965224e-03 -5.647501652433e-04 -9.262872960638e-04 6.766265959881e-05 2.585037134948e-03 -5.581101675149e-04 1.621672159723e-04
|
||||
3*0.0 -4.575829012014e-03 6.806085963667e-04 1.338623068086e-03 -9.560034368229e-05 -3.217304487354e-03 8.057415556231e-04 -2.844567205893e-04 3*0.0 3.926098511547e-03 -5.461581257774e-04 -8.966944947365e-04 6.522717670238e-05 2.506012494773e-03 -5.399671270903e-04 1.558347977630e-04
|
||||
3*0.0 -4.457501343229e-03 6.594801218280e-04 1.295529530505e-03 -9.209056139021e-05 -3.126438598120e-03 7.785607983022e-04 -2.740211959693e-04 3*0.0 3.803270369500e-03 -5.281942096445e-04 -8.681562219268e-04 6.287589581270e-05 2.429403656562e-03 -5.224200784511e-04 1.497252453117e-04
|
||||
3*0.0 -4.341770642424e-03 6.389583423223e-04 1.253732696953e-03 -8.870330279451e-05 -3.037886649132e-03 7.522463254281e-04 -2.639438336361e-04 3*0.0 3.684066696595e-03 -5.108380172697e-04 -8.406358999145e-04 6.060562694470e-05 2.355142937776e-03 -5.054478732593e-04 1.438304483849e-04
|
||||
3*0.0 -4.228594862557e-03 6.190277773234e-04 1.213198130135e-03 -8.543450454063e-05 -2.951598962496e-03 7.267724956003e-04 -2.542129877705e-04 3*0.0 3.568397336486e-03 -4.940697397247e-04 -8.140980386325e-04 5.841330058661e-05 2.283164216650e-03 -4.890300669138e-04 1.381425856695e-04
|
||||
3*0.0 -4.117932201825e-03 5.996732765138e-04 1.173892137897e-03 -8.228022699422e-05 -2.867526635650e-03 7.021143314142e-04 -2.448173605845e-04 3*0.0 3.456173804886e-03 -4.778701442908e-04 -7.885082099855e-04 5.629596356904e-05 2.213402906985e-03 -4.731468988449e-04 1.326541155480e-04
|
||||
3*0.0 -4.009741114999e-03 5.808800146114e-04 1.135781761926e-03 -7.923665088036e-05 -2.785621536864e-03 6.782475053598e-04 -2.357459931116e-04 3*0.0 3.347309275024e-03 -4.622205602945e-04 -7.638330225770e-04 5.425077505758e-05 2.145795933027e-03 -4.577792732346e-04 1.273577671238e-04
|
||||
3*0.0 -3.903980324355e-03 5.626334862410e-04 1.098834766507e-03 -7.630007402974e-05 -2.705836300618e-03 6.551483260865e-04 -2.269882562311e-04 3*0.0 3.241718562687e-03 -4.471028652156e-04 -7.400400968453e-04 5.227500266574e-05 2.080281704452e-03 -4.429087401547e-04 1.222465314886e-04
|
||||
3*0.0 -3.800608830289e-03 5.449195007925e-04 1.063019627344e-03 -7.346690820717e-05 -2.628124322980e-03 6.327937248240e-04 -2.185338418716e-04 3*0.0 3.139318110868e-03 -4.324994710618e-04 -7.170980406069e-04 5.036601868529e-05 2.016800091448e-03 -4.285174771213e-04 1.173136532295e-04
|
||||
3*0.0 -3.699585921516e-03 5.277241773438e-04 1.028305520443e-03 -7.073367597934e-05 -2.552439756481e-03 6.111612419763e-04 -2.103727544331e-04 3*0.0 3.040025974031e-03 -4.183933110095e-04 -6.949764250068e-04 4.852129643082e-05 1.955292399937e-03 -4.145882710567e-04 1.125526221683e-04
|
||||
3*0.0 -3.600871184957e-03 5.110339396157e-04 9.946623110447e-04 -6.809700767867e-05 -2.478737505131e-03 5.902290139636e-04 -2.024953023795e-04 3*0.0 2.943761802041e-03 -4.047678263057e-04 -6.736457608764e-04 4.673840669577e-05 1.895701346914e-03 -4.011045006547e-04 1.079571653303e-04
|
||||
3*0.0 -3.504424515255e-03 4.948355109833e-04 9.620605426493e-04 -6.555363844414e-05 -2.406973219259e-03 5.699757602966e-04 -1.948920900673e-04 3*0.0 2.850446823755e-03 -3.916069534300e-04 -6.530774754953e-04 4.501501431690e-05 1.837971035936e-03 -3.880501191444e-04 1.035212391347e-04
|
||||
3*0.0 -3.410206123933e-03 4.791159095247e-04 9.304714260880e-04 -6.310040529312e-05 -2.337103290096e-03 5.503807707830e-04 -1.875540097247e-04 3*0.0 2.760003830314e-03 -3.788951115112e-04 -6.332438897574e-04 4.334887484448e-05 1.782046932755e-03 -3.754096374453e-04 9.923902180481e-05
|
||||
3*0.0 -3.318176548220e-03 4.638624430437e-04 8.998668286872e-04 -6.073424434426e-05 -2.269084844386e-03 5.314238931165e-04 -1.804722336418e-04 3*0.0 2.672357158159e-03 -3.666171899984e-04 -6.141181957395e-04 4.173783131540e-05 1.727875841119e-03 -3.631681077090e-04 9.510490599123e-05
|
||||
3*0.0 -3.228296659533e-03 4.490627041979e-04 8.702192635026e-04 -5.845218800112e-05 -2.202875738717e-03 5.130855203564e-04 -1.736382065118e-04 3*0.0 2.587432671774e-03 -3.547585365800e-04 -5.956744346694e-04 4.017981112651e-05 1.675405878729e-03 -3.513111072420e-04 9.111349160347e-05
|
||||
3*0.0 -3.140527671607e-03 4.347045656608e-04 8.415018786321e-04 -5.625136230133e-05 -2.138434553857e-03 4.953465789914e-04 -1.670436380063e-04 3*0.0 2.505157746195e-03 -3.433049453511e-04 -5.778874752929e-04 3.867282300552e-05 1.624586453384e-03 -3.398247228035e-04 8.725957884602e-05
|
||||
3*0.0 -3.054831148292e-03 4.207761753199e-04 8.136884465986e-04 -5.412898425282e-05 -2.075720588909e-03 4.781885169131e-04 -1.606804954735e-04 3*0.0 2.425461249299e-03 -3.322426452226e-04 -5.607329926365e-04 3.721495407691e-05 1.575368239301e-03 -3.286955352723e-04 8.353816145370e-05
|
||||
3*0.0 -2.971169011022e-03 4.072659514832e-04 7.867533538293e-04 -5.208235929236e-05 -2.014693855399e-03 4.615932917332e-04 -1.545409968331e-04 3*0.0 2.348273523888e-03 -3.215582885719e-04 -5.441874471628e-04 3.580436702025e-05 1.527703153626e-03 -3.179106046780e-04 7.994442012174e-05
|
||||
3*0.0 -2.889503545953e-03 3.941625781645e-04 7.606715902138e-04 -5.010887877021e-05 -1.955315071227e-03 4.455433592519e-04 -1.486176036370e-04 3*0.0 2.273526369588e-03 -3.112389401295e-04 -5.282280643185e-04 3.443929731856e-05 1.481544333143e-03 -3.074574555893e-04 7.647371612620e-05
|
||||
3*0.0 -2.809797410754e-03 3.814550004327e-04 7.354187387373e-04 -4.820601749626e-05 -1.897545654542e-03 4.300216621218e-04 -1.429030142987e-04 3*0.0 2.201153024589e-03 -3.012720661000e-04 -5.128328144685e-04 3.311805059417e-05 1.436846111192e-03 -2.973240628551e-04 7.312158513041e-05
|
||||
3*0.0 -2.732013641106e-03 3.691324197090e-04 7.109709652184e-04 -4.637133138000e-05 -1.841347717469e-03 4.150116187446e-04 -1.373901574664e-04 3*0.0 2.131088147232e-03 -2.916455235135e-04 -4.979803932161e-04 3.183900002973e-05 1.393563994783e-03 -2.874988376922e-04 6.988373117270e-05
|
||||
3*0.0 -2.656115656825e-03 3.571842892337e-04 6.873050081177e-04 -4.460245508483e-05 -1.786684059847e-03 4.004971123075e-04 -1.320721855920e-04 3*0.0 2.063267797464e-03 -2.823475498037e-04 -4.836502021053e-04 3.060058387213e-05 1.351654641940e-03 -2.779706141133e-04 6.675602083160e-05
|
||||
3*0.0 -2.582067267764e-03 3.456003095009e-04 6.643981684412e-04 -4.289709978230e-05 -1.733518162780e-03 3.864624800204e-04 -1.269424686168e-04 3*0.0 1.997629418185e-03 -2.733667526111e-04 -4.698223297010e-04 2.940130301694e-05 1.311075839254e-03 -2.687286356902e-04 6.373447756386e-05
|
||||
3*0.0 -2.509832679229e-03 3.343704237398e-04 6.422282997347e-04 -4.125305091770e-05 -1.681814182222e-03 3.728925026280e-04 -1.219945878348e-04 3*0.0 1.934111816488e-03 -2.646920998056e-04 -4.564775330452e-04 2.823971867126e-05 1.271786479666e-03 -2.597625426466e-04 6.081527621142e-05
|
||||
3*0.0 -2.439376497258e-03 3.234848134544e-04 6.207737981754e-04 -3.966816607457e-05 -1.631536942240e-03 3.597723939399e-04 -1.172223298932e-04 3*0.0 1.872655144824e-03 -2.563129097275e-04 -4.435972194847e-04 2.711445009271e-05 1.233746540482e-03 -2.510623592741e-04 5.799473767312e-05
|
||||
3*0.0 -2.370663733449e-03 3.129338940710e-04 6.000135927286e-04 -3.814037284442e-05 -1.582651928470e-03 3.470877906979e-04 -1.126196809510e-04 3*0.0 1.813200882088e-03 -2.482188416423e-04 -4.311634288672e-04 2.602417240257e-05 1.196917061619e-03 -2.426184816664e-04 5.526932373719e-05
|
||||
3*0.0 -2.303659809565e-03 3.027083104686e-04 5.799271354277e-04 -3.666766680980e-05 -1.535125281372e-03 3.348247425169e-04 -1.081808209491e-04 3*0.0 1.755691814663e-03 -2.403998864069e-04 -4.191588161013e-04 2.496761447079e-05 1.161260124087e-03 -2.344216657661e-04 5.263563207050e-05
|
||||
3*0.0 -2.238330561768e-03 2.927989327506e-04 5.604943917290e-04 -3.524810953497e-05 -1.488923789431e-03 3.229697021229e-04 -1.039001180783e-04 3*0.0 1.700072017411e-03 -2.328463573424e-04 -4.075666340779e-04 2.394355687111e-05 1.126738828719e-03 -2.264630157175e-04 5.009039136077e-05
|
||||
3*0.0 -2.174642244566e-03 2.831968519371e-04 5.416958309579e-04 -3.387982661486e-05 -1.444014882269e-03 3.115095156444e-04 -9.977212332822e-05 3*0.0 1.646286834644e-03 -2.255488813130e-04 -3.963707169478e-04 2.295082990408e-05 1.093317275142e-03 -2.187339725212e-04 4.763045660793e-05
|
||||
3*0.0 -2.112561534444e-03 2.738933757475e-04 5.235124168529e-04 -3.256100578075e-05 -1.400366623709e-03 3.004314131439e-04 -9.579156519796e-05 3*0.0 1.594282861077e-03 -2.184983900041e-04 -3.855554637520e-04 2.198831168619e-05 1.060960541002e-03 -2.112263029840e-04 4.525280456078e-05
|
||||
3*0.0 -2.052055533187e-03 2.648800244278e-04 5.059255981979e-04 -3.128989505203e-05 -1.357947704784e-03 2.897229993139e-04 -9.195334453307e-05 3*0.0 1.544007922783e-03 -2.116861114004e-04 -3.751058224006e-04 2.105492630315e-05 1.029634661428e-03 -2.039320889587e-04 4.295452929549e-05
|
||||
3*0.0 -1.993091770897e-03 2.561485266251e-04 4.889172995539e-04 -3.006480093321e-05 -1.316727436663e-03 2.793722443200e-04 -8.825252949197e-05 3*0.0 1.495411058150e-03 -2.051035614569e-04 -3.650072739967e-04 2.014964202553e-05 9.993066087676e-04 -1.968437168684e-04 4.073283793207e-05
|
||||
3*0.0 -1.935638208705e-03 2.476908152973e-04 4.724699120755e-04 -2.888408666444e-05 -1.276675743483e-03 2.693674748627e-04 -8.468435062715e-05 3*0.0 1.448442498866e-03 -1.987425359626e-04 -3.552458174994e-04 1.927146958495e-05 9.699442725642e-04 -1.899538675104e-04 3.858504648553e-05
|
||||
3*0.0 -1.879663241146e-03 2.394990237048e-04 4.565662844228e-04 -2.774617050340e-05 -1.237763155286e-03 2.596973653529e-04 -8.124419611686e-05 3*0.0 1.403053650926e-03 -1.925951025923e-04 -3.458079547239e-04 1.841946050894e-05 9.415164398009e-04 -1.832555061332e-04 3.650857584807e-05
|
||||
3*0.0 -1.825135698317e-03 2.315654814301e-04 4.411897137664e-04 -2.664952407547e-05 -1.199960800653e-03 2.503509292364e-04 -7.792760708077e-05 3*0.0 1.359197075698e-03 -1.866535931433e-04 -3.366806756724e-04 1.759270551308e-05 9.139927754014e-04 -1.767418727821e-04 3.450094789903e-05
|
||||
3*0.0 -1.772024847609e-03 2.238827104123e-04 4.263239368968e-04 -2.559267074266e-05 -1.163240399476e-03 2.413175105599e-04 -7.473027304095e-05 3*0.0 1.316826471020e-03 -1.809105959538e-04 -3.278514441923e-04 1.679033294829e-05 8.873438029942e-04 -1.704064729075e-04 3.255978173912e-05
|
||||
3*0.0 -1.720300395200e-03 2.164434211439e-04 4.119531213949e-04 -2.457418400599e-05 -1.127574255594e-03 2.325867756205e-04 -7.164802748905e-05 3*0.0 1.275896652374e-03 -1.753589485015e-04 -3.193081839579e-04 1.601150730209e-05 8.615408859399e-04 -1.642430682315e-04 3.068279004586e-05
|
||||
3*0.0 -1.669932487297e-03 2.092405087322e-04 3.980618569369e-04 -2.359268600848e-05 -1.092935249407e-03 2.241487047838e-04 -6.867684354885e-05 3*0.0 1.236363534127e-03 -1.699917301760e-04 -3.110392647689e-04 1.525542775190e-05 8.365562086230e-04 -1.582456678664e-04 2.886777554679e-05
|
||||
3*0.0 -1.620891710984e-03 2.022670492088e-04 3.846351466595e-04 -2.264684601575e-05 -1.059296830456e-03 2.159935845042e-04 -6.581282978849e-05 3*0.0 1.198184110848e-03 -1.648022552254e-04 -3.030334891647e-04 1.452132676904e-05 8.123627580096e-04 -1.524085196812e-04 2.711262760749e-05
|
||||
3*0.0 -1.573149094816e-03 1.955162957609e-04 3.716583986321e-04 -2.173537895730e-05 -1.026633009901e-03 2.081119994390e-04 -6.305222610196e-05 3*0.0 1.161316438720e-03 -1.597840658719e-04 -2.952800793459e-04 1.380846877181e-05 7.889343054708e-04 -1.467261019092e-04 2.541531893130e-05
|
||||
3*0.0 -1.526676109162e-03 1.889816750552e-04 3.591174174201e-04 -2.085704402900e-05 -9.949183530954e-04 2.004948247353e-04 -6.039139970953e-05 3*0.0 1.125719617041e-03 -1.549309255936e-04 -2.877686644021e-04 1.311614882617e-05 7.662453888740e-04 -1.411931149943e-04 2.377390236757e-05
|
||||
3*0.0 -1.481444666152e-03 1.826567836086e-04 3.469983957419e-04 -2.001064328699e-05 -9.641279718531e-04 1.931332184603e-04 -5.782684126641e-05 3*0.0 1.091353769834e-03 -1.502368125701e-04 -2.804892678390e-04 1.244369139271e-05 7.442712949405e-04 -1.358044736681e-04 2.218650782572e-05
|
||||
3*0.0 -1.437427119419e-03 1.765353842149e-04 3.352879062128e-04 -1.919502032504e-05 -9.342375170447e-04 1.860186142179e-04 -5.535516107040e-05 3*0.0 1.058180027567e-03 -1.456959132887e-04 -2.734322954013e-04 1.179044911829e-05 7.229880418719e-04 -1.305552992549e-04 2.065133929204e-05
|
||||
3*0.0 -1.394596263547e-03 1.706114023964e-04 3.239728931988e-04 -1.840905896000e-05 -9.052231707894e-04 1.791427137994e-04 -5.297308535107e-05 3*0.0 1.026160508993e-03 -1.413026163079e-04 -2.665885231867e-04 1.115580167122e-05 7.023723622426e-04 -1.254409121989e-04 1.916667194650e-05
|
||||
3*0.0 -1.352925333211e-03 1.648789229457e-04 3.130406647429e-04 -1.765168197185e-05 -8.770616389018e-04 1.724974801544e-04 -5.067745268174e-05 3*0.0 9.952583031104e-04 -1.370515061750e-04 -2.599490860457e-04 1.053915461842e-05 6.824016861609e-04 -1.204568248087e-04 1.773084937673e-05
|
||||
3*0.0 -1.312388002044e-03 1.593321864751e-04 3.024788846125e-04 -1.692184986371e-05 -8.497301431671e-04 1.660751303122e-04 -4.846521047106e-05 3*0.0 9.654374512570e-04 -1.329373574963e-04 -2.535054662640e-04 9.939938343526e-06 6.630541246969e-04 -1.155987342146e-04 1.634228088651e-05
|
||||
3*0.0 -1.272958381265e-03 1.539655860823e-04 2.922755644016e-04 -1.621855965029e-05 -8.232064136211e-04 1.598681285466e-04 -4.633341154147e-05 3*0.0 9.366629293441e-04 -1.289551291553e-04 -2.472494825213e-04 9.357607004345e-06 6.443084535770e-04 -1.108625155340e-04 1.499943889606e-05
|
||||
3*0.0 -1.234611017988e-03 1.487736639629e-04 2.824190557784e-04 -1.554084369942e-05 -7.974686808220e-04 1.538691796572e-04 -4.427921080546e-05 3*0.0 9.089006302290e-04 -1.250999586767e-04 -2.411732791231e-04 8.791637528771e-06 6.261440971443e-04 -1.062442152399e-04 1.370085643166e-05
|
||||
3*0.0 -1.197320893318e-03 1.437511081665e-04 2.728980427995e-04 -1.488776860918e-05 -7.724956680880e-04 1.480712224449e-04 -4.229986204032e-05 3*0.0 8.821173462378e-04 -1.213671567340e-04 -2.352693155000e-04 8.241528647717e-06 6.085411125851e-04 -1.017400447282e-04 1.244512470184e-05
|
||||
3*0.0 -1.161063420186e-03 1.388927493649e-04 2.637015343244e-04 -1.425843408718e-05 -7.482665837274e-04 1.424674232034e-04 -4.039271472647e-05 3*0.0 8.562807518411e-04 -1.177522017966e-04 -2.295303559711e-04 7.706799964003e-06 5.914801744190e-04 -9.734637407938e-05 1.123089075792e-05
|
||||
3*0.0 -1.125814440902e-03 1.341935576819e-04 2.548188565263e-04 -1.365197188476e-05 -7.247611133166e-04 1.370511694362e-04 -3.855521099260e-05 3*0.0 8.313593864871e-04 -1.142507349151e-04 -2.239494597650e-04 7.186991056046e-06 5.749425592532e-04 -9.305972600976e-05 1.005685523630e-05
|
||||
3*0.0 -1.091550224549e-03 1.296486395256e-04 2.462396455228e-04 -1.306754476343e-05 -7.019594118042e-04 1.318160636555e-04 -3.678488261584e-05 3*0.0 8.073226375976e-04 -1.108585546404e-04 -2.185199712965e-04 6.681660615240e-06 5.589101307983e-04 -8.887677000798e-05 8.921770180111e-06
|
||||
3*0.0 -1.058247464037e-03 1.252532346080e-04 2.379538400632e-04 -1.250434544281e-05 -6.798420958395e-04 1.267559173252e-04 -3.507934813989e-05 3*0.0 7.841407237302e-04 -1.075716120757e-04 -2.132355106918e-04 6.190385615945e-06 5.433653251466e-04 -8.479431665274e-05 7.824436938123e-06
|
||||
3*0.0 -1.025883273076e-03 1.210027128010e-04 2.299516743790e-04 -1.196159567857e-05 -6.583902359442e-04 1.218647449692e-04 -3.343631004327e-05 3*0.0 7.617846779112e-04 -1.043860060575e-04 -2.080899645594e-04 5.712760517052e-06 5.282911363080e-04 -8.080931210714e-05 6.763704138359e-06
|
||||
3*0.0 -9.944351828160e-04 1.168925712278e-04 2.222236710820e-04 -1.143854526472e-05 -6.375853487475e-04 1.171367583449e-04 -3.185355199631e-05 3*0.0 7.402263311420e-04 -1.012979784625e-04 -2.030774770018e-04 5.248396494087e-06 5.136711020063e-04 -7.691883278547e-05 5.738465734426e-06
|
||||
3*0.0 -9.638811383699e-04 1.129184313274e-04 2.147606341875e-04 -1.093447111991e-05 -6.174093892438e-04 1.125663607838e-04 -3.032893619382e-05 3*0.0 7.194382960838e-04 -9.830390964007e-05 -1.981924408632e-04 4.796920700878e-06 4.994892897307e-04 -7.312008018850e-05 4.747659122308e-06
|
||||
3*0.0 -9.341994950959e-04 1.090760359528e-04 2.075536422550e-04 -1.044867637725e-05 -5.978447430082e-04 1.081481416285e-04 -2.886040076054e-05 3*0.0 6.993939509218e-04 -9.540031396467e-05 -1.934294892088e-04 4.357975559807e-06 4.857302830429e-04 -6.941037590295e-05 3.790263325522e-06
|
||||
3*0.0 -9.053690147751e-04 1.053612465934e-04 2.005940415937e-04 -9.980489528494e-06 -5.788742186536e-04 1.038768708619e-04 -2.744595723426e-05 3*0.0 6.800674234142e-04 -9.258383550823e-05 -1.887834870321e-04 3.931218079717e-06 4.723791681370e-04 -6.578715676129e-05 2.865297246599e-06
|
||||
3*0.0 -8.773688615197e-04 1.017700405354e-04 1.938734396371e-04 -9.529263556056e-06 -5.604810398993e-04 9.974749374750e-05 -2.608368811793e-05 3*0.0 6.614335751256e-04 -8.985124382852e-05 -1.842495231849e-04 3.516319200561e-06 4.594215206511e-04 -6.224797015788e-05 1.971817982865e-06
|
||||
3*0.0 -8.501785976296e-04 9.829850815069e-05 1.873836983643e-04 -9.094375109441e-06 -5.426488380946e-04 9.575512562242e-05 -2.477174448379e-05 3*0.0 6.434679858511e-04 -8.719942987147e-05 -1.798229025256e-04 3.112963163898e-06 4.468433927279e-04 -5.879046951749e-05 1.108919204571e-06
|
||||
3*0.0 -8.237781792520e-04 9.494285023949e-05 1.811169278652e-04 -8.675223715302e-06 -5.253616445313e-04 9.189504693907e-05 -2.350834368547e-05 3*0.0 6.261469382294e-04 -8.462540198514e-05 -1.754991382825e-04 2.720846908387e-06 4.346313003232e-04 -5.541240991246e-05 2.757295934558e-07
|
||||
3*0.0 -7.981479519399e-04 9.169937536700e-05 1.750654800124e-04 -8.271231002894e-06 -5.086038829416e-04 8.816269824649e-05 -2.229176710834e-05 3*0.0 6.094474025496e-04 -8.212628204264e-05 -1.712739446268e-04 2.339679489432e-06 4.227722107585e-04 -5.211164382481e-05 -5.285886601228e-07
|
||||
3*0.0 -7.732686460669e-04 8.856449729292e-05 1.692219422276e-04 -7.881839944802e-06 -4.923603619728e-04 8.455367538725e-05 -2.112035799016e-05 3*0.0 5.933470217529e-04 -7.969930167184e-05 -1.671432294517e-04 1.969181522160e-06 4.112535305184e-04 -4.888611704938e-05 -1.304841303302e-06
|
||||
3*0.0 -7.491213721714e-04 8.553473242335e-05 1.635791313802e-04 -7.506514127497e-06 -4.766162676804e-04 8.106372477788e-05 -1.999251930549e-05 3*0.0 5.778240966298e-04 -7.734179858944e-05 -1.631030873531e-04 1.609084646955e-06 4.000630932868e-04 -4.573386473462e-05 -2.053803411856e-06
|
||||
3*0.0 -7.256876161832e-04 8.260669732421e-05 1.581300877837e-04 -7.144737044855e-06 -4.613571561708e-04 7.768873881964e-05 -1.890671171932e-05 3*0.0 5.628575712154e-04 -7.505121303708e-05 -1.591497928079e-04 1.259131016762e-06 3.891891482233e-04 -4.265300755738e-05 -2.776220728091e-06
|
||||
3*0.0 -7.029492345827e-04 7.977710627681e-05 1.528680693104e-04 -6.796011411749e-06 -4.465689462564e-04 7.442475141479e-05 -1.786145159779e-05 3*0.0 5.484270183842e-04 -7.282508431732e-05 -1.552797935455e-04 9.190728054299e-07 3.786203484747e-04 -3.964174802811e-05 -3.472810947173e-06
|
||||
3*0.0 -6.808884494977e-04 7.704276886389e-05 1.477865456247e-04 -6.459858504522e-06 -4.322379121885e-04 7.126793359711e-05 -1.685530907887e-05 3*0.0 5.345126256434e-04 -7.066104742712e-05 -1.514897041091e-04 5.886717363565e-07 3.683457399205e-04 -3.669836692320e-05 -4.144264953542e-06
|
||||
3*0.0 -6.594878437067e-04 7.440058767374e-05 1.428791925075e-04 -6.135817489034e-06 -4.183506764713e-04 6.821458925842e-05 -1.588690620694e-05 3*0.0 5.210951811293e-04 -6.855682978669e-05 -1.477762996022e-04 2.676986307377e-07 3.583547501500e-04 -3.382121984097e-05 -4.791248009004e-06
|
||||
3*0.0 -6.387303556725e-04 7.184755591063e-05 1.381398863362e-04 -5.823444836002e-06 -4.048942027376e-04 6.526115101541e-05 -1.495491511493e-05 3*0.0 5.081560598029e-04 -6.651024806159e-05 -1.441365096162e-04 -4.406702526386e-08 3.486371776673e-04 -3.100873387806e-05 -5.414400894069e-06
|
||||
3*0.0 -6.185992744643e-04 6.938075519029e-05 1.335626986383e-04 -5.522313686182e-06 -3.918557886947e-04 6.240417614769e-05 -1.405805627311e-05 3*0.0 4.956772098499e-04 -6.451920507582e-05 -1.405674123361e-04 -3.468374950963e-07 3.391831813232e-04 -2.825940442292e-05 -6.014341004035e-06
|
||||
3*0.0 -5.990782347068e-04 6.699735330275e-05 1.291418907811e-04 -5.232013276000e-06 -3.792230592632e-04 5.964034266185e-05 -1.319509678401e-05 3*0.0 4.836411392818e-04 -6.258168681397e-05 -1.370662288193e-04 -6.408171887825e-07 3.299832699704e-04 -2.557179206333e-05 -6.591663401330e-06
|
||||
3*0.0 -5.801512114737e-04 6.469460205686e-05 1.248719087609e-04 -4.952148362493e-06 -3.669839596247e-04 5.696644548678e-05 -1.236484874337e-05 3*0.0 4.720309027409e-04 -6.069575951013e-05 -1.336303174442e-04 -9.262030428996e-07 3.210282923394e-04 -2.294451960472e-05 -7.146941825512e-06
|
||||
3*0.0 -5.618025152211e-04 6.246983513524e-05 1.207473781259e-04 -4.682338672052e-06 -3.551267484691e-04 5.437939266795e-05 -1.156616763768e-05 3*0.0 4.608300885075e-04 -5.885956682187e-05 -1.302571685254e-04 -1.203184884178e-06 3.123094271329e-04 -2.037626919622e-05 -7.680729662363e-06
|
||||
3*0.0 -5.440167866957e-04 6.032046601460e-05 1.167630989917e-04 -4.422218376135e-06 -3.436399913243e-04 5.187620182712e-05 -1.079795080177e-05 3*0.0 4.500228057108e-04 -5.707132708688e-05 -1.269443990902e-04 -1.471945777305e-06 3.038181733354e-04 -1.786577956161e-05 -8.193560873418e-06
|
||||
3*0.0 -5.267789918440e-04 5.824398590676e-05 1.129140411782e-04 -4.171435553151e-06 -3.325125539759e-04 4.945399652085e-05 -1.005913591557e-05 3*0.0 4.395936717426e-04 -5.532933066073e-05 -1.236897478150e-04 -1.732662357515e-06 2.955463407361e-04 -1.541184333199e-05 -8.685950887269e-06
|
||||
3*0.0 -5.100744168191e-04 5.623796180621e-05 1.091953394538e-04 -3.929651723844e-06 -3.217335960412e-04 4.711000290078e-05 -9.348699579653e-06 3*0.0 4.295277998734e-04 -5.363193733347e-05 -1.204910701150e-04 -1.985505148502e-06 2.874860406612e-04 -1.301330447750e-05 -9.158397453933e-06
|
||||
3*0.0 -4.938886628676e-04 5.430003448034e-05 1.056022889005e-04 -3.696541331258e-06 -3.112925644975e-04 4.484154632558e-05 -8.665655899830e-06 3*0.0 4.198107870707e-04 -5.197757382340e-05 -1.173463333872e-04 -2.230638866207e-06 2.796296769134e-04 -1.066905583517e-05 -9.611381463534e-06
|
||||
3*0.0 -4.782076413898e-04 5.242791657615e-05 1.021303403729e-04 -3.471791291363e-06 -3.011791874545e-04 4.264604811846e-05 -8.009055137445e-06 3*0.0 4.104287020196e-04 -5.036473134605e-05 -1.142536123998e-04 -2.468222708992e-06 2.719699369169e-04 -8.378036730149e-06 -1.004536773053e-05
|
||||
3*0.0 -4.630175689676e-04 5.061939073899e-05 9.877509607418e-05 -3.255100535338e-06 -2.913834679646e-04 4.052102241212e-05 -7.377982401451e-06 3*0.0 4.013680733442e-04 -4.879196325657e-05 -1.112110848265e-04 -2.698410634704e-06 2.644997830623e-04 -6.139230687599e-06 -1.046080574467e-05
|
||||
3*0.0 -4.483049624485e-04 4.887230777548e-05 9.553230523706e-05 -3.046179570752e-06 -2.818956779480e-04 3.846407308051e-05 -6.771556383245e-06 3*0.0 3.926158780289e-04 -4.725788276375e-05 -1.082170269222e-04 -2.921351625123e-06 2.572124442515e-04 -3.951663232706e-06 -1.085813038983e-05
|
||||
3*0.0 -4.340566340833e-04 4.718458484406e-05 9.239785991220e-05 -2.844750064248e-06 -2.727063522272e-04 3.647289076620e-05 -6.188928134159e-06 3*0.0 3.841595300409e-04 -4.576116071382e-05 -1.052698093358e-04 -3.137189938260e-06 2.501014076384e-04 -1.814399776066e-06 -1.123776263184e-05
|
||||
3*0.0 -4.202596866750e-04 4.555420374477e-05 8.936779084291e-05 -2.650544402364e-06 -2.638062826451e-04 3.454524997457e-05 -5.629279883351e-06 3*0.0 3.759868691495e-04 -4.430052344248e-05 -1.023678930575e-04 -3.346065348976e-06 2.431604105619e-04 2.734564179576e-07 -1.160011017647e-05
|
||||
3*0.0 -4.069015088597e-04 4.397920912434e-05 8.643826347760e-05 -2.463305337037e-06 -2.551865123206e-04 3.267900627686e-05 -5.091823895468e-06 3*0.0 3.680861499449e-04 -4.287475069322e-05 -9.950982549720e-05 -3.548113378343e-06 2.363834326696e-04 2.312766182448e-06 -1.194556809846e-05
|
||||
3*0.0 -3.939697703663e-04 4.245770684087e-05 8.360557404713e-05 -2.282785572627e-06 -2.468383299570e-04 3.087209356748e-05 -4.575801365984e-06 3*0.0 3.604460310523e-04 -4.148267360052e-05 -9.669423669053e-05 -3.743465512207e-06 2.297646882291e-04 4.304356321116e-06 -1.227451944286e-05
|
||||
3*0.0 -3.814524173547e-04 4.098786231522e-05 8.086614575048e-05 -2.108747403934e-06 -2.387532643731e-04 2.912252145525e-05 -4.080481361919e-06 3*0.0 3.530555645422e-04 -4.012317273606e-05 -9.391983562989e-05 -3.932249409344e-06 2.232986186229e-04 6.249021405825e-06 -1.258733579947e-05
|
||||
3*0.0 -3.693376678415e-04 3.956789890654e-05 7.821652504897e-05 -1.940962353903e-06 -2.309230789210e-04 2.742837263647e-05 -3.605159782104e-06 3*0.0 3.459041855351e-04 -3.879517621652e-05 -9.118540671681e-05 -4.114589099625e-06 2.169798850254e-04 8.147525500772e-06 -1.288437785147e-05
|
||||
3*0.0 -3.576140071505e-04 3.819609634556e-05 7.565337804507e-05 -1.779210834219e-06 -2.233397662356e-04 2.578780045224e-05 -3.149158375507e-06 3*0.0 3.389817019981e-04 -3.749765787129e-05 -8.848980633293e-05 -4.290605172578e-06 2.108033612587e-04 1.000060381559e-05 -1.316599589915e-05
|
||||
3*0.0 -3.462701834351e-04 3.687078920307e-05 7.317348693286e-05 -1.623281787515e-06 -2.159955429109e-04 2.419902642616e-05 -2.711823757655e-06 3*0.0 3.322782847344e-04 -3.622963546856e-05 -8.583195952649e-05 -4.460414956725e-06 2.047641268237e-04 1.180896428955e-05 -1.343253035962e-05
|
||||
3*0.0 -3.352952032654e-04 3.559036537174e-05 7.077374659137e-05 -1.472972396274e-06 -2.088828444167e-04 2.266033796112e-05 -2.292526515850e-06 3*0.0 3.257844575618e-04 -3.499016899837e-05 -8.321085681139e-05 -4.624132690053e-06 1.988574601042e-04 1.357328910913e-05 -1.368431224350e-05
|
||||
3*0.0 -3.246783272680e-04 3.435326460578e-05 6.845116121349e-05 -1.328087747825e-06 -2.019943200011e-04 2.117008603723e-05 -1.890660293386e-06 3*0.0 3.194910876800e-04 -3.377835901099e-05 -8.062555107589e-05 -4.781869681983e-06 1.930788317416e-04 1.529423616083e-05 -1.392166360928e-05
|
||||
3*0.0 -3.144090658210e-04 3.315797707815e-05 6.620284105207e-05 -1.188440539935e-06 -1.953228277407e-04 1.972668303157e-05 -1.505640935138e-06 3*0.0 3.133893762251e-04 -3.259334500928e-05 -7.807515459827e-05 -4.933734467168e-06 1.874238981759e-04 1.697244042162e-05 -1.414489799631e-05
|
||||
3*0.0 -3.044771748300e-04 3.200304199410e-05 6.402599921769e-05 -1.053850773339e-06 -1.888614296618e-04 1.832860049163e-05 -1.136905638894e-06 3*0.0 3.074708490093e-04 -3.143430389358e-05 -7.555883616632e-05 -5.079832951463e-06 1.818884953519e-04 1.860851528869e-05 -1.435432083726e-05
|
||||
3*0.0 -2.948726515591e-04 3.088704617708e-05 6.191794862032e-05 -9.241455110329e-07 -1.826033870666e-04 1.697436720444e-05 -7.839121717187e-07 3*0.0 3.017273474439e-04 -3.030044845779e-05 -7.307581829835e-05 -5.220268550371e-06 1.764686325863e-04 2.020305385072e-05 -1.455022985069e-05
|
||||
3*0.0 -2.855857304420e-04 2.980862280073e-05 5.987609890825e-05 -7.991585427121e-07 -1.765421556924e-04 1.566256705074e-05 -4.461380830325e-07 3*0.0 2.961510196443e-04 -2.919102593511e-05 -7.062537456262e-05 -5.355142320288e-06 1.711604865937e-04 2.175663010245e-05 -1.473291541461e-05
|
||||
3*0.0 -2.766068790689e-04 2.876645000477e-05 5.789795356095e-05 -6.787301781644e-07 -1.706713812502e-04 1.439183713658e-05 -1.230799574034e-07 3*0.0 2.907343117156e-04 -2.810531659234e-05 -6.820682699284e-05 -5.484553082834e-06 1.659603956683e-04 2.326980010444e-05 -1.490266092174e-05
|
||||
3*0.0 -2.679267941487e-04 2.775924965253e-05 5.598110700867e-05 -5.627069657649e-07 -1.649848948712e-04 1.316086586325e-05 1.857473120819e-07 3*0.0 2.854699592155e-04 -2.704263237120e-05 -6.581954359702e-05 -5.608597542571e-06 1.608648540193e-04 2.474310308989e-05 -1.505974311717e-05
|
||||
3*0.0 -2.595363975476e-04 2.678578608526e-05 5.412324184715e-05 -4.509414537117e-07 -1.594767086994e-04 1.196839110039e-05 4.808112142710e-07 3*0.0 2.803509787941e-04 -2.600231557557e-05 -6.346293595712e-05 -5.727370398371e-06 1.558705062552e-04 2.617706252022e-05 -1.520443241915e-05
|
||||
3*0.0 -2.514268323609e-04 2.584486490121e-05 5.232212611868e-05 -3.432919537534e-07 -1.541410116448e-04 1.081319843602e-05 7.625622888732e-07 3*0.0 2.753706600084e-04 -2.498373760328e-05 -6.113645691708e-05 -5.840964448720e-06 1.509741420173e-04 2.757218709120e-05 -1.533699322358e-05
|
||||
3*0.0 -2.435894590628e-04 2.493533175111e-05 5.057561066721e-05 -2.396223120925e-07 -1.489721649852e-04 9.694119409854e-06 1.031434789059e-06 3*0.0 2.705225573083e-04 -2.398629772128e-05 -5.883959835674e-05 -5.949470691199e-06 1.461726907567e-04 2.892897169127e-05 -1.545768419305e-05
|
||||
3*0.0 -2.360158516807e-04 2.405607118501e-05 4.888162656185e-05 -1.398016957882e-07 -1.439646983128e-04 8.610029877235e-06 1.287847291709e-06 3*0.0 2.658004821944e-04 -2.300942188294e-05 -5.657188904925e-05 -6.052978416413e-06 1.414632166538e-04 3.024789831378e-05 -1.556675853077e-05
|
||||
3*0.0 -2.286977940031e-04 2.320600554632e-05 4.723818257307e-05 -4.370435860395e-08 -1.391133054443e-04 7.559848383218e-06 1.532203307878e-06 3*0.0 2.611984955431e-04 -2.205256158641e-05 -5.433289259963e-05 -6.151575296596e-06 1.368429136768e-04 3.152943692459e-05 -1.566446424035e-05
|
||||
3*0.0 -2.216272758805e-04 2.238409381008e-05 4.564336274542e-05 4.879053101483e-08 -1.344128403699e-04 6.542534598478e-06 1.764891860495e-06 3*0.0 2.567109000988e-04 -2.111519277272e-05 -5.212220546225e-05 -6.245347469123e-06 1.323091007779e-04 3.277404628680e-05 -1.575104437163e-05
|
||||
3*0.0 -2.147964895159e-04 2.158933053545e-05 4.409532400324e-05 1.377991056683e-07 -1.298583133549e-04 5.557087802392e-06 1.986288046134e-06 3*0.0 2.523322331305e-04 -2.019681476268e-05 -4.993945503486e-05 -6.334379615173e-06 1.278592172218e-04 3.398217474393e-05 -1.582673725354e-05
|
||||
3*0.0 -2.081978258279e-04 2.082074482396e-05 4.259229382979e-05 2.234329979298e-07 -1.254448870749e-04 4.602545395344e-06 2.196753574016e-06 3*0.0 2.480572592503e-04 -1.929694923130e-05 -4.778429782707e-05 -6.418755033741e-06 1.234908180466e-04 3.515426096319e-05 -1.589177671416e-05
|
||||
3*0.0 -2.018238708368e-04 2.007739926802e-05 4.113256800841e-05 3.057994986646e-07 -1.211678728716e-04 3.677981540027e-06 2.396637283402e-06 3*0.0 2.438809633925e-04 -1.841513921888e-05 -4.565641770106e-05 -6.498555711212e-06 1.192015696537e-04 3.629073464011e-05 -1.594639228877e-05
|
||||
3*0.0 -1.956674021018e-04 1.935838894158e-05 3.971450842545e-05 3.850017554727e-07 -1.170227269605e-04 2.782505695212e-06 2.586275655982e-06 3*0.0 2.397985439505e-04 -1.755094817745e-05 -4.355552418244e-05 -6.573862386712e-06 1.149892455226e-04 3.739201716618e-05 -1.599080941634e-05
|
||||
3*0.0 -1.897213852001e-04 1.866284045571e-05 3.833654091674e-05 4.611389304587e-07 -1.130050468746e-04 1.915261335792e-06 2.765993284003e-06 3*0.0 2.358054060695e-04 -1.670395905177e-05 -4.148135083920e-05 -6.644754613416e-06 1.108517220503e-04 3.845852226054e-05 -1.602524962490e-05
|
||||
3*0.0 -1.839789702147e-04 1.798991098227e-05 3.699715319008e-05 5.343063675382e-07 -1.091105678622e-04 1.075424665939e-06 2.936103339204e-06 3*0.0 2.318971550937e-04 -1.587377339374e-05 -3.943365372672e-05 -6.711310816007e-06 1.067869745113e-04 3.949065656736e-05 -1.604993070633e-05
|
||||
3*0.0 -1.784334882998e-04 1.733878730544e-05 3.569489278274e-05 6.045957611473e-07 -1.053351593602e-04 2.622033001697e-07 3.096908043868e-06 3*0.0 2.280695901639e-04 -1.506001050931e-05 -3.741220989682e-05 -6.773608344464e-06 1.027930731360e-04 4.048882021995e-05 -1.606506688101e-05
|
||||
3*0.0 -1.730784482306e-04 1.670868496094e-05 3.442836508690e-05 6.720952864013e-07 -1.016748216472e-04 -5.251648375570e-07 3.248699061427e-06 3*0.0 2.243186979657e-04 -1.426230663694e-05 -3.541681596898e-05 -6.831723524361e-06 9.886817930534e-05 4.145340737306e-05 -1.607086895282e-05
|
||||
3*0.0 -1.679075330461e-04 1.609884731640e-05 3.319623142105e-05 7.368897605911e-07 -9.812568236085e-05 -1.287412765706e-06 3.391757945070e-06 3*0.0 2.206406466242e-04 -1.348031415656e-05 -3.344728676188e-05 -6.885731703829e-06 9.501054185868e-05 4.238480670438e-05 -1.606754445485e-05
|
||||
3*0.0 -1.629145966792e-04 1.550854470879e-05 3.199720715523e-05 7.990607735827e-07 -9.468399326389e-05 -2.025245549373e-06 3.526356526547e-06 3*0.0 2.170317797439e-04 -1.271370082832e-05 -3.150345398321e-05 -6.935707297364e-06 9.121849351296e-05 4.328340188661e-05 -1.605529778632e-05
|
||||
3*0.0 -1.580936606359e-04 1.493707365478e-05 3.083005987175e-05 8.586868482455e-07 -9.134612698788e-05 -2.739341407882e-06 3.652757301702e-06 3*0.0 2.134886105919e-04 -1.196214906006e-05 -2.958516497625e-05 -6.981723826614e-06 8.749044739051e-05 4.414957203119e-05 -1.603433034104e-05
|
||||
3*0.0 -1.534389106988e-04 1.438375595386e-05 2.969360760645e-05 9.158435386563e-07 -8.810857383578e-05 -3.430352760038e-06 3.771213803601e-06 3*0.0 2.100078164208e-04 -1.122535520267e-05 -2.769228152114e-05 -7.023853958312e-06 8.382489365311e-05 4.498369210468e-05 -1.600484062788e-05
|
||||
3*0.0 -1.489446937355e-04 1.384793794815e-05 2.858671710325e-05 9.706035588190e-07 -8.496793873358e-05 -4.098907260450e-06 3.881970960494e-06 3*0.0 2.065862329314e-04 -1.050302887261e-05 -2.582467868941e-05 -7.062169539484e-06 8.022039624008e-05 4.578613331912e-05 -1.596702438357e-05
|
||||
3*0.0 -1.446055143736e-04 1.332898972593e-05 2.750830213499e-05 1.023036928649e-06 -8.192093806792e-05 -4.745608786536e-06 3.985265436218e-06 3*0.0 2.032208488702e-04 -9.794892300578e-06 -2.398224374981e-05 -7.096741630087e-06 7.667558970796e-05 4.655726349719e-05 -1.592107467816e-05
|
||||
3*0.0 -1.404160318907e-04 1.282630437272e-05 2.645732186692e-05 1.073211069708e-06 -7.896439678140e-05 -5.371038398414e-06 4.081325961367e-06 3*0.0 1.999088007621e-04 -9.100679705634e-06 -2.216487512405e-05 -7.127640533190e-06 7.318917616956e-05 4.729744741335e-05 -1.586718201359e-05
|
||||
3*0.0 -1.363710570241e-04 1.233929722096e-05 2.543277925752e-05 1.121190918189e-06 -7.609524536302e-05 -5.975755249357e-06 4.170373659310e-06 3*0.0 1.966473677745e-04 -8.420136694002e-06 -2.037248139067e-05 -7.154935822847e-06 6.975992233013e-05 4.800704711185e-05 -1.580553441565e-05
|
||||
3*0.0 -1.324655488618e-04 1.186740515458e-05 2.443371950853e-05 1.167039035790e-06 -7.331051701202e-05 -6.560297508122e-06 4.252622340923e-06 3*0.0 1.934339667111e-04 -7.753019681701e-06 -1.860498033553e-05 -7.178696369764e-06 6.638665661833e-05 4.868642220266e-05 -1.573631751965e-05
|
||||
Spline
|
||||
76 5.1
|
||||
1.484240629188219 3.347230693492468 -0.4587635967095696
|
||||
1.5968 1.6092 2.19823 -3.943617847729282 2.926638917795799 0.4517470892806659
|
||||
1.6092 1.6216 2.14978 -3.870828820670603 2.94344390951704 -2.258735446399402
|
||||
1.6216 1.634 2.10223 -3.798873321201295 2.859418950910982 -1.906550529284544
|
||||
1.634 1.6464 2.05556 -3.728839184846851 2.788495271221597 -0.6048076607075147
|
||||
1.6464 1.6588 2.00975 -3.659963487798286 2.765996426243277 -0.9190914414312176
|
||||
1.6588 1.6712 1.96479 -3.591790734927556 2.731806224622036 -0.9636991857030071
|
||||
1.6712 1.6836 1.92067 -3.524486475717311 2.695956614913884 -0.4709844283235444
|
||||
1.6836 1.696 1.87738 -3.457844007364544 2.678435994180249 -2.39723571345696
|
||||
1.696 1.7084 1.83491 -3.392524591598777 2.58925882563965 -0.4298179429822217
|
||||
1.7084 1.7208 1.79324 -3.328509239143653 2.573269598160711 -1.128365126687817
|
||||
1.7208 1.7332 1.75236 -3.265212645374905 2.531294415447924 -0.301594163601469
|
||||
1.7332 1.7456 1.71226 -3.202575663227583 2.520075112561949 -2.910130830972594
|
||||
1.7456 1.758 1.67293 -3.141420185585758 2.411818245649769 1.452372262242715
|
||||
1.758 1.7704 1.63435 -3.080937142816516 2.465846493805198 -2.899358217885655
|
||||
1.7704 1.7828 1.59652 -3.021121565728894 2.357990368099852 -0.3446846157181388
|
||||
1.7828 1.7952 1.55942 -2.962802400719556 2.345168100395137 -0.9667759319298803
|
||||
1.7952 1.8076 1.52304 -2.905088186231637 2.309204035727346 -1.033084268563411
|
||||
1.8076 1.82 1.48737 -2.848296467257001 2.270773300936786 -0.1457596072872475
|
||||
1.82 1.8324 1.4524 -2.792048525385419 2.265351043545701 -3.628749914169446
|
||||
1.8324 1.8448 1.41812 -2.737541689265893 2.130361546738598 4.171014038594617
|
||||
1.8448 1.8572 1.38451 -2.682784717551054 2.285523268974317 -7.810433627405378
|
||||
1.8572 1.8696 1.35158 -2.62970653730414 1.994975138034838 6.091230020751028
|
||||
1.8696 1.882 1.31929 -2.577421391296904 2.221568894806775 -6.064741230577803
|
||||
1.882 1.8944 1.28766 -2.525124026540537 1.995960521029282 2.433117064376746
|
||||
1.8944 1.9068 1.25666 -2.474501857379555 2.086472475824098 -3.667727027628337
|
||||
1.9068 1.9192 1.22629 -2.424449189102421 1.950033030396324 1.748045821410279
|
||||
1.9192 1.9316 1.19653 -2.375282031372092 2.015060334952786 -3.324456258012757
|
||||
1.9316 1.944 1.16738 -2.32684204024796 1.891390562154712 1.060033985501367
|
||||
1.944 1.9564 1.13882 -2.279446581829691 1.930823826415363 -0.9156796838713982
|
||||
1.9564 1.9688 1.11085 -2.231984535659166 1.896760542175347 -2.64218786221551
|
||||
1.9688 1.9812 1.08346 -2.1861636626303 1.798471153700929 0.9946859068491861
|
||||
1.9812 1.9936 1.05663 -2.141102749303406 1.835473469435718 -1.336555764687579
|
||||
1.9936 2.006 1.03036 -2.096199533704535 1.78575359498934 -0.8933354609085804
|
||||
2.006 2.0184 1.00464 -2.052324922330208 1.752521515843542 -0.8594622645613816
|
||||
2.0184 2.0308 0.979459 -2.009258841490684 1.720549519601857 -0.3892008332784198
|
||||
2.0308 2.0432 0.954808 -1.966768743964932 1.7060712486039 -1.255145230668743
|
||||
2.0432 2.0556 0.93068 -1.925037150391559 1.659379846023023 -0.3595781177652109
|
||||
2.0556 2.068 0.907064 -1.88405039640435 1.646003540042157 -0.9779531270928911
|
||||
2.068 2.13 0.883953 -1.843680618829771 1.609623683714302 -0.7099252826032892
|
||||
2.13 2.192 0.775663 -1.652274140408179 1.47757758115009 -0.6747487354965273
|
||||
2.192 2.254 0.678741 -1.476835722763313 1.352074316347736 -0.6317296361132411
|
||||
2.254 2.316 0.592224 -1.316463613699852 1.234572604030673 -0.5914245934311624
|
||||
2.316 2.378 0.515208 -1.170196919211497 1.124567629652477 -0.5481058762336155
|
||||
2.378 2.44 0.446848 -1.037071290099315 1.022619936673024 -0.5141278004001554
|
||||
2.44 2.502 0.386358 -0.916195339746075 0.9269921657985958 -0.4751721202428812
|
||||
2.502 2.564 0.333004 -0.8067279960776903 0.8386101514334201 -0.442590317936178
|
||||
2.564 2.626 0.286105 -0.7078442888463858 0.7562883522972906 -0.4104700990021048
|
||||
2.626 2.688 0.245028 -0.6187980743432142 0.6799409138828993 -0.3785214648988623
|
||||
2.688 2.75 0.209186 -0.538850510554948 0.6095359214117106 -0.3496208061995355
|
||||
2.75 2.812 0.178037 -0.4672998834369892 0.5445064514585972 -0.320944355315328
|
||||
2.812 2.874 0.151081 -0.4034822137616196 0.4848108013699464 -0.2925189958609631
|
||||
2.874 2.936 0.127859 -0.3467390034520147 0.430402268139807 -0.275452757143738
|
||||
2.936 2.998 0.10795 -0.2965456433980603 0.3791680553110718 -0.2420702306734842
|
||||
2.998 3.06 0.090964 -0.2523203584396139 0.3341429924058036 -0.2248306516728175
|
||||
3.06 3.122 0.07655100000000001 -0.2134793744563853 0.2923244911946596 -0.205490449533502
|
||||
3.122 3.184 0.06439 -0.1796008534122679 0.2541032675814284 -0.1826056905708161
|
||||
3.184 3.246 0.054188 -0.1501978570558333 0.2201386091352564 -0.1634120877709742
|
||||
3.246 3.308 0.045683 -0.1247851377192365 0.1897439608098553 -0.1539779075913962
|
||||
3.308 3.37 0.038639 -0.1030325598091584 0.1611040699978557 -0.1269902693091462
|
||||
3.37 3.432 0.03284 -0.08452010691509731 0.1374838799063544 -0.1226939580074791
|
||||
3.432 3.494 0.028099 -0.06888701253045165 0.1146628037169634 -0.09973247205525794
|
||||
3.494 3.556 0.024245 -0.05581893973728938 0.09611256391468531 -0.0951731730057523
|
||||
3.556 3.618 0.021131 -0.04499851884297076 0.07841035373561543 -0.07762928189523248
|
||||
3.618 3.68 0.018624 -0.03617085585857029 0.06397130730310223 -0.0684461835863176
|
||||
3.68 3.742 0.016611 -0.029027735142103 0.0512403171560471 -0.06397989467231155
|
||||
3.742 3.804 0.014993 -0.02341175196011427 0.03934005674699718 -0.04487326964678477
|
||||
3.804 3.866 0.013682 -0.01905106346905335 0.03099362859269524 -0.04604399495236034
|
||||
3.866 3.928 0.012609 -0.01573883287334975 0.02242944553155618 -0.03529233021558253
|
||||
3.928 3.99 0.011711 -0.01336457277948288 0.01586507211145784 -0.02677748677663691
|
||||
3.99 4.052 0.010937 -0.01170610181517028 0.01088445957100336 -0.02543364627901719
|
||||
4.052 4.114 0.010247 -0.0106497296372555 0.006153801363106206 -0.01834436125817837
|
||||
4.114 4.176 0.009605999999999998 -0.01009820544225964 0.002741750169085014 -0.01028225902898222
|
||||
4.176 4.238 0.008988000000000001 -0.009876803432415322 0.0008292499896943125 -0.02444456442647588
|
||||
4.238 4.3 0.008373 -0.01005587115065935 -0.003717438993630222 0.04931794347448308
|
||||
4.3 4.362 0.007746999999999999 -0.009948099061721765 0.00545569849262354 -0.2147861903716326
|
||||
4.362 5.1 0.0071 -0.01174850679600213 -0.03449453291650029 0.09300749589369167 -0.06480951351180619 0.01004226571056632
|
||||
556
tests/DFTB/scc/cs.spl
Normal file
556
tests/DFTB/scc/cs.spl
Normal file
|
|
@ -0,0 +1,556 @@
|
|||
0.02, 500,
|
||||
20*0.0,
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
3*0.0 3.567708749560e-01 3.705149154231e-01 -8.049872182450e-01 -4.951913829670e-01 1.823125923573e-01 8.457557192296e-01 -1.343914793943e+00 3*0.0 -2.932346429112e-01 -2.676098654708e-01 7.826214835833e-01 8.135111336053e-01 7.340496722602e-03 -2.479180803349e-01 8.745970701364e-01
|
||||
3*0.0 3.625144447913e-01 3.824868143383e-01 -8.220521400612e-01 -5.103570900058e-01 1.883664515789e-01 8.076377664852e-01 -1.308617691791e+00 3*0.0 -3.047150928061e-01 -2.795283517459e-01 7.768319993728e-01 8.119041169203e-01 8.659788245801e-03 -2.562326335070e-01 8.697348008045e-01
|
||||
3*0.0 3.671597124478e-01 3.937740726305e-01 -8.362291387617e-01 -5.248515537246e-01 1.935677774118e-01 7.693026495084e-01 -1.272188617464e+00 3*0.0 -3.157862610534e-01 -2.912511380223e-01 7.705954319862e-01 8.101698918992e-01 1.012106684985e-02 -2.642694057968e-01 8.647173427161e-01
|
||||
3*0.0 3.707464548672e-01 4.043848694652e-01 -8.475521394081e-01 -5.386372973423e-01 1.979172991173e-01 7.312330050367e-01 -1.235175063736e+00 3*0.0 -3.264396464547e-01 -3.027726025164e-01 7.639078237957e-01 8.083055196364e-01 1.172859418985e-02 -2.720508751884e-01 8.595657303810e-01
|
||||
3*0.0 3.733151452370e-01 4.143287915677e-01 -8.560774329367e-01 -5.516849200107e-01 2.014215228749e-01 6.938320129587e-01 -1.198046429107e+00 3*0.0 -3.366677193805e-01 -3.140874821073e-01 7.567670810887e-01 8.063084251903e-01 1.348601694848e-02 -2.795987140735e-01 8.543003208634e-01
|
||||
3*0.0 3.749086691877e-01 4.236171817711e-01 -8.618783312452e-01 -5.639724927894e-01 2.040929689726e-01 6.574337220626e-01 -1.161199770125e+00 3*0.0 -3.464638942730e-01 -3.251908669714e-01 7.491729060251e-01 8.041763980240e-01 1.539637111164e-02 -2.869336090507e-01 8.489406015052e-01
|
||||
3*0.0 3.755717000549e-01 4.322623467403e-01 -8.650437531345e-01 -5.754845427556e-01 2.059488395173e-01 6.223100077070e-01 -1.124967094458e+00 3*0.0 -3.558225009640e-01 -3.360781945825e-01 7.411267185144e-01 8.019075895254e-01 1.746209073532e-02 -2.940751227392e-01 8.435050408463e-01
|
||||
3*0.0 3.753491213496e-01 4.402774980637e-01 -8.656747287934e-01 -5.862112431071e-01 2.070106150983e-01 5.886767778256e-01 -1.089621644840e+00 3*0.0 -3.647387551125e-01 -3.467452431759e-01 7.326315705071e-01 7.995005080372e-01 1.968502048434e-02 -3.010415922648e-01 8.380109776431e-01
|
||||
3*0.0 3.742869769221e-01 4.476775583161e-01 -8.638824045768e-01 -5.961485616840e-01 2.073029838175e-01 5.567026776698e-01 -1.055385232345e+00 3*0.0 -3.732087280246e-01 -3.571881247630e-01 7.236920548524e-01 7.969540117877e-01 2.206643130293e-02 -3.078500594773e-01 8.324745431124e-01
|
||||
3*0.0 3.724324030462e-01 4.544773894974e-01 -8.597853337536e-01 -6.052963545835e-01 2.068532975670e-01 5.265144442336e-01 -1.022433080118e+00 3*0.0 -3.812293160765e-01 -3.674032777768e-01 7.143142105546e-01 7.942673000747e-01 2.460703865165e-02 -3.145162283800e-01 8.269106118359e-01
|
||||
3*0.0 3.698322395033e-01 4.606925700545e-01 -8.535063486238e-01 -6.136584705253e-01 2.056912396990e-01 4.982023250890e-01 -9.908992830540e-01 3*0.0 -3.887982099327e-01 -3.773874594155e-01 7.045054259786e-01 7.914399030165e-01 2.730702281262e-02 -3.210544456716e-01 8.213327771076e-01
|
||||
3*0.0 3.665326018050e-01 4.663401459431e-01 -8.451714296269e-01 -6.212430928553e-01 2.038483473304e-01 4.718257346893e-01 -9.608827353485e-01 3*0.0 -3.959138637182e-01 -3.871377377464e-01 6.942743412982e-01 7.884716701483e-01 3.016605082680e-02 -3.274777007186e-01 8.157533468830e-01
|
||||
3*0.0 3.625793428715e-01 4.714368857032e-01 -8.349091034343e-01 -6.280608923084e-01 2.013578391913e-01 4.474163753150e-01 -9.324507510053e-01 3*0.0 -4.025754642817e-01 -3.966514836238e-01 6.836307512546e-01 7.853627581108e-01 3.318329968136e-02 -3.337976416681e-01 8.101833568636e-01
|
||||
3*0.0 3.580184428596e-01 4.759995993116e-01 -8.228499434633e-01 -6.341248512011e-01 1.982537636131e-01 4.249823287008e-01 -9.056436973626e-01 3*0.0 -4.087829006636e-01 -4.059263624675e-01 6.725855090966e-01 7.821136176471e-01 3.635748041386e-02 -3.400246047928e-01 8.046325976263e-01
|
||||
3*0.0 3.528956076276e-01 4.800462473841e-01 -8.091257534120e-01 -6.394510078996e-01 1.945702241643e-01 4.045126243879e-01 -8.804801470164e-01 3*0.0 -4.145367338638e-01 -4.149603259446e-01 6.611504324001e-01 7.787249800942e-01 3.968686284290e-02 -3.461676545043e-01 7.991096530575e-01
|
||||
3*0.0 3.472553184369e-01 4.835949167351e-01 -7.938677443596e-01 -6.440573630816e-01 1.903417683848e-01 3.859793469050e-01 -8.569594462051e-01 3*0.0 -4.198381669892e-01 -4.237516035899e-01 6.493382113184e-01 7.751978435331e-01 4.316930067256e-02 -3.522346317985e-01 7.936219476937e-01
|
||||
3*0.0 3.411404110463e-01 4.866630502762e-01 -7.772045500053e-01 -6.479628294087e-01 1.856038562608e-01 3.693394388035e-01 -8.350635120943e-01 3*0.0 -4.246890158454e-01 -4.322986943972e-01 6.371623196874e-01 7.715334587381e-01 4.680225675135e-02 -3.582322091876e-01 7.881758008755e-01
|
||||
3*0.0 3.345924850453e-01 4.892683191158e-01 -7.592614405309e-01 -6.511877376252e-01 1.803923602590e-01 3.545381989221e-01 -8.147601516275e-01 3*0.0 -4.290916800268e-01 -4.406003584091e-01 6.246369293033e-01 7.677333150436e-01 5.058282829616e-02 -3.641659504464e-01 7.827764859127e-01
|
||||
3*0.0 3.276522429718e-01 4.914290274364e-01 -7.401608753356e-01 -6.537541501431e-01 1.747425958103e-01 3.415123876478e-01 -7.960065278984e-01 3*0.0 -4.330491145465e-01 -4.486556083290e-01 6.117768276020e-01 7.637991262310e-01 5.450777191799e-02 -3.700403737354e-01 7.774282927140e-01
|
||||
3*0.0 3.203592254116e-01 4.931633248134e-01 -7.200230710527e-01 -6.556850401392e-01 1.686887268820e-01 3.301915657546e-01 -7.787512057743e-01 3*0.0 -4.365648020401e-01 -4.564637011763e-01 5.985973388930e-01 7.597328165219e-01 5.857352830993e-02 -3.758590168839e-01 7.721345925694e-01
|
||||
3*0.0 3.127515347669e-01 4.944887490934e-01 -6.989651844026e-01 -6.570035725468e-01 1.622638289957e-01 3.204992360949e-01 -7.629353566884e-01 3*0.0 -4.396427255699e-01 -4.640241300026e-01 5.851142492406e-01 7.555365067480e-01 6.277624647883e-02 -3.816245038027e-01 7.668979039823e-01
|
||||
3*0.0 3.048697811408e-01 4.954227491881e-01 -6.770949675949e-01 -6.577330394823e-01 1.555002805110e-01 3.123578650268e-01 -7.484944219663e-01 3*0.0 -4.422873420477e-01 -4.713366156840e-01 5.713437350353e-01 7.512125007579e-01 6.711180742174e-02 -3.873386111677e-01 7.617199586307e-01
|
||||
3*0.0 2.967419469636e-01 4.959827033427e-01 -6.545228706607e-01 -6.578980993205e-01 1.484309251504e-01 3.056799433427e-01 -7.353572744494e-01 3*0.0 -4.445035562885e-01 -4.784010988040e-01 5.573022952581e-01 7.467632721095e-01 7.157584716498e-02 -3.930023346630e-01 7.566017667016e-01
|
||||
3*0.0 2.884057849983e-01 4.961858596563e-01 -6.313488898302e-01 -6.575229121538e-01 1.410878950430e-01 3.003813680105e-01 -7.234523629280e-01 3*0.0 -4.462966957068e-01 -4.852177316349e-01 5.430066874076e-01 7.421914510861e-01 7.616377909981e-02 -3.986159542002e-01 7.515436809826e-01
|
||||
3*0.0 2.798932055602e-01 4.960489722743e-01 -6.076706319317e-01 -6.566319138612e-01 1.335014528243e-01 2.963751709880e-01 -7.127059793638e-01 3*0.0 -4.476724856549e-01 -4.917868702312e-01 5.284738670350e-01 7.374998120684e-01 8.087081556259e-02 -4.041790976440e-01 7.465454592190e-01
|
||||
3*0.0 2.712338601415e-01 4.955885096035e-01 -5.835814505779e-01 -6.552494599002e-01 1.257003957771e-01 2.935738247309e-01 -7.030437979146e-01 3*0.0 -4.486370254086e-01 -4.981090666390e-01 5.137209308154e-01 7.326912612856e-01 8.569198862025e-02 -4.096908026714e-01 7.416063243510e-01
|
||||
3*0.0 2.624559079819e-01 4.948206501236e-01 -5.591694982531e-01 -6.533996996889e-01 1.177124867864e-01 2.918905085915e-01 -6.943912827092e-01 3*0.0 -4.491967647950e-01 -5.041850612302e-01 4.987650630641e-01 7.277688249648e-01 9.062217003326e-02 -4.151495764725e-01 7.367250223359e-01
|
||||
3*0.0 2.535864568266e-01 4.937612269721e-01 -5.345172629708e-01 -6.511065031346e-01 1.095646635091e-01 2.912399693934e-01 -6.866742087790e-01 3*0.0 -4.493584814595e-01 -5.100157751657e-01 4.836234856017e-01 7.227356378905e-01 9.565609037865e-02 -4.205534530756e-01 7.318998773399e-01
|
||||
3*0.0 2.446514250316e-01 4.924256746718e-01 -5.097018163420e-01 -6.483934156209e-01 1.012828944636e-01 2.915388807824e-01 -6.798193668115e-01 3*0.0 -4.491292587657e-01 -5.156023029912e-01 4.683134108600e-01 7.175949323838e-01 1.007883573245e-01 -4.259000481363e-01 7.271288441477e-01
|
||||
3*0.0 2.356751551787e-01 4.908290000055e-01 -4.847953611992e-01 -6.452836034831e-01 9.289190835033e-02 2.927059665232e-01 -6.737552479254e-01 3*0.0 -4.485164643202e-01 -5.209459053706e-01 4.528519981191e-01 7.123500277065e-01 1.060134730552e-01 -4.311866110841e-01 7.224095576945e-01
|
||||
3*0.0 2.266802008542e-01 4.889857703312e-01 -4.598655955282e-01 -6.417997799032e-01 8.441505449520e-02 2.946621757047e-01 -6.684125168475e-01 3*0.0 -4.475277291146e-01 -5.260480019574e-01 4.372563127602e-01 7.070043198917e-01 1.113258508544e-01 -4.364100745593e-01 7.177393796723e-01
|
||||
3*0.0 2.176874159027e-01 4.869101093077e-01 -4.349757536001e-01 -6.379641319582e-01 7.587435406513e-02 2.973309948340e-01 -6.637242621107e-01 3*0.0 -4.461709272750e-01 -5.309101644066e-01 4.215432884209e-01 7.015612720001e-01 1.167198308559e-01 -4.415671011129e-01 7.131154421979e-01
|
||||
3*0.0 2.087161860225e-01 4.846156961436e-01 -4.101845049262e-01 -6.337982704319e-01 6.729062889556e-02 3.006387973335e-01 -6.596261396672e-01 3*0.0 -4.444541564093e-01 -5.355341095293e-01 4.057296919354e-01 6.960244047999e-01 1.221896949820e-01 -4.466541271671e-01 7.085346885641e-01
|
||||
3*0.0 1.997845929326e-01 4.821157693226e-01 -3.855459346758e-01 -6.293232060967e-01 5.868358125419e-02 3.045151045932e-01 -6.560565169781e-01 3*0.0 -4.423857185438e-01 -5.399216925886e-01 3.898320909480e-01 6.903972878664e-01 1.277296810874e-01 -4.516674042608e-01 7.039939111178e-01
|
||||
3*0.0 1.909094400959e-01 4.794231335035e-01 -3.611096758441e-01 -6.245593401961e-01 5.007179285809e-02 3.088927189313e-01 -6.529566383990e-01 3*0.0 -4.399741016384e-01 -5.440749007389e-01 3.738668240848e-01 6.846835310936e-01 1.333339963340e-01 -4.566030376237e-01 6.994897863326e-01
|
||||
3*0.0 1.821062091880e-01 4.765501623843e-01 -3.369211239468e-01 -6.195264525718e-01 4.147269348220e-02 3.137077683701e-01 -6.502707670091e-01 3*0.0 -4.372279616704e-01 -5.479958466076e-01 3.578499735740e-01 6.788867766122e-01 1.389968298224e-01 -4.614570221362e-01 6.950189071557e-01
|
||||
3*0.0 1.733890432004e-01 4.735087924548e-01 -3.130216438294e-01 -6.142436799905e-01 3.290255457994e-02 3.188997190776e-01 -6.479462594962e-01 3*0.0 -4.341561052799e-01 -5.516867620191e-01 3.417973402072e-01 6.730106911065e-01 1.447123645081e-01 -4.662252757466e-01 6.905778127231e-01
|
||||
3*0.0 1.647707898867e-01 4.703105143534e-01 -2.894487341361e-01 -6.087294921771e-01 2.437651769235e-02 3.244113861180e-01 -6.459335749826e-01 3*0.0 -4.307674729658e-01 -5.551499918599e-01 3.257244205340e-01 6.670589585192e-01 1.504747884309e-01 -4.709036704254e-01 6.861630155454e-01
|
||||
3*0.0 1.562630763280e-01 4.669663762370e-01 -2.662361651977e-01 -6.030016801877e-01 1.590863177947e-02 3.301889463587e-01 -6.441862522600e-01 3*0.0 -4.270711228250e-01 -5.583879880860e-01 3.096463861898e-01 6.610352731373e-01 1.562783052868e-01 -4.754880607435e-01 6.817710262728e-01
|
||||
3*0.0 1.478763735364e-01 4.634870060172e-01 -2.434141161612e-01 -5.970773642421e-01 7.511877078255e-03 3.361819434234e-01 -6.426608850188e-01 3*0.0 -4.230762148263e-01 -5.614033038686e-01 2.935780652541e-01 6.549433330472e-01 1.621171443726e-01 -4.799743101655e-01 6.773983761524e-01
|
||||
3*0.0 1.396200366328e-01 4.598826426831e-01 -2.210093247698e-01 -5.909730133393e-01 -8.018214299180e-04 3.423432690404e-01 -6.413170960771e-01 3*0.0 -4.187919956123e-01 -5.641985878800e-01 2.775339255442e-01 6.487868339508e-01 1.679855699308e-01 -4.843583151545e-01 6.730416372930e-01
|
||||
3*0.0 1.315023335446e-01 4.561631577572e-01 -1.990452531906e-01 -5.847044609578e-01 -9.021571358255e-03 3.486291058890e-01 -6.401174912496e-01 3*0.0 -4.142277838209e-01 -5.667765787172e-01 2.615280597496e-01 6.425694633305e-01 1.738778899252e-01 -4.886360271835e-01 6.686974408533e-01
|
||||
3*0.0 1.235304831228e-01 4.523380551473e-01 -1.775422707065e-01 -5.782869068127e-01 -1.713746649000e-02 3.549988270375e-01 -6.390275775020e-01 3*0.0 -4.093929559199e-01 -5.691400994619e-01 2.455741723145e-01 6.362948949534e-01 1.797884642723e-01 -4.928034727529e-01 6.643624932688e-01
|
||||
3*0.0 1.157107159718e-01 4.484164543011e-01 -1.565178526872e-01 -5.717349079519e-01 -2.514051892098e-02 3.614148632838e-01 -6.380156492106e-01 3*0.0 -4.042969325492e-01 -5.712920523763e-01 2.296855679817e-01 6.299667837044e-01 1.857117125568e-01 -4.968567715109e-01 6.600335906332e-01
|
||||
3*0.0 1.080483598102e-01 4.444070731247e-01 -1.359867926937e-01 -5.650623714520e-01 -3.302258507761e-02 3.678425608238e-01 -6.370526610405e-01 3*0.0 -3.989491653624e-01 -5.732354137338e-01 2.138751419111e-01 6.235887607366e-01 1.916421212552e-01 -5.007921525735e-01 6.557076313450e-01
|
||||
3*0.0 1.005479428538e-01 4.403182253643e-01 -1.159614232530e-01 -5.582825591110e-01 -4.077630185653e-02 3.742500486923e-01 -6.361121050673e-01 3*0.0 -3.933591243635e-01 -5.749732287820e-01 1.981553712899e-01 6.171644289293e-01 1.975742504913e-01 -5.046059691390e-01 6.513816271293e-01
|
||||
3*0.0 9.321330504385e-02 4.361578354684e-01 -9.645184143091e-02 -5.514081051111e-01 -4.839503995740e-02 3.806081208926e-01 -6.351698970921e-01 3*0.0 -3.875362857317e-01 -5.765086068384e-01 1.825383083534e-01 6.106973586425e-01 2.035027403467e-01 -5.082947114913e-01 6.470527125418e-01
|
||||
3*0.0 8.604770698284e-02 4.319334622556e-01 -7.746613519907e-02 -5.444510391034e-01 -5.587286954027e-02 3.868901232600e-01 -6.342042644250e-01 3*0.0 -3.814901201288e-01 -5.778447165163e-01 1.670355747400e-01 6.041910837570e-01 2.094223167455e-01 -5.118550184817e-01 6.427181530571e-01
|
||||
3*0.0 7.905392834171e-02 4.276523189637e-01 -5.901060331011e-02 -5.374228056457e-01 -6.320452596269e-02 3.930718302171e-01 -6.331956240134e-01 3*0.0 -3.752300814834e-01 -5.789847810809e-01 1.516583571040e-01 5.976490979914e-01 2.153277969339e-01 -5.152836875789e-01 6.383753518399e-01
|
||||
3*0.0 7.223434932811e-02 4.233212824479e-01 -4.108995595610e-02 -5.303342762045e-01 -7.038536428742e-02 3.991313038637e-01 -6.321264464481e-01 3*0.0 -3.687655962461e-01 -5.799320739325e-01 1.364174039130e-01 5.910748514827e-01 2.212140945728e-01 -5.185776835713e-01 6.340218552955e-01
|
||||
3*0.0 6.559100972463e-02 4.189468931979e-01 -2.370748041736e-02 -5.231957568114e-01 -7.741129928578e-02 4.050487409541e-01 -6.309811114264e-01 3*0.0 -3.621060531094e-01 -5.806899142179e-01 1.213230233609e-01 5.844717476241e-01 2.270762244589e-01 -5.217341460055e-01 6.296553574887e-01
|
||||
3*0.0 5.912564075956e-02 4.145353537104e-01 -6.865159949831e-03 -5.160169975282e-01 -8.427873785927e-02 4.108063226479e-01 -6.297457659339e-01 3*0.0 -3.552607931868e-01 -5.812616625666e-01 1.063850823278e-01 5.778431401470e-01 2.329093068903e-01 -5.247503954399e-01 6.252737035196e-01
|
||||
3*0.0 5.283966705535e-02 4.100925324125e-01 9.436254217560e-03 -5.088072077242e-01 -9.098451756452e-02 4.163880817666e-01 -6.284081950023e-01 3*0.0 -3.482391006444e-01 -5.816507169524e-01 9.161300632041e-02 5.711923304386e-01 2.387085716917e-01 -5.276239385899e-01 6.208748919375e-01
|
||||
3*0.0 4.673417987229e-02 4.056239756919e-01 2.519720422899e-02 -5.015750767499e-01 -9.752586502130e-02 4.217797942975e-01 -6.269577096240e-01 3*0.0 -3.410501937791e-01 -5.818605086770e-01 7.701578033124e-02 5.645225650862e-01 2.444693619105e-01 -5.303524724391e-01 6.164570762722e-01
|
||||
3*0.0 4.080988835401e-02 4.011349260318e-01 4.041929893743e-02 -4.943287968932e-01 -1.039003817703e-01 4.269688926494e-01 -6.253850520390e-01 3*0.0 -3.337032165355e-01 -5.818944984770e-01 6.260195055485e-02 5.578370336374e-01 2.501871371976e-01 -5.329338873854e-01 6.120185657568e-01
|
||||
3*0.0 3.506706099308e-02 3.966303426062e-01 5.510528005658e-02 -4.870760860771e-01 -1.101060557979e-01 4.319443932393e-01 -6.236823169648e-01 3*0.0 -3.262072304571e-01 -5.817561727499e-01 4.837962690223e-02 5.511388665679e-01 2.558574768833e-01 -5.353662694901e-01 6.075578253131e-01
|
||||
3*0.0 2.950547310370e-02 3.921149215815e-01 6.925897138815e-02 -4.798242099709e-01 -1.161412885550e-01 4.366968311121e-01 -6.218428866426e-01 3*0.0 -3.185712070612e-01 -5.814490399011e-01 3.435648625746e-02 5.444311334483e-01 2.614760827589e-01 -5.376479018949e-01 6.030734748645e-01
|
||||
3*0.0 2.412437600135e-02 3.875931145649e-01 8.288521125263e-02 -4.725800043445e-01 -1.220049230389e-01 4.412181964567e-01 -6.198613753515e-01 3*0.0 -3.108040206330e-01 -5.809766268072e-01 2.053977642209e-02 5.377168412999e-01 2.670387815744e-01 -5.397772654665e-01 5.985642880417e-01
|
||||
3*0.0 1.892249915873e-02 3.830691437200e-01 9.598977327594e-02 -4.653498974064e-01 -1.276962595034e-01 4.455018690979e-01 -6.177335752083e-01 3*0.0 -3.029144414300e-01 -5.803424753971e-01 6.936320695404e-03 5.309989331318e-01 2.725415272605e-01 -5.417530387287e-01 5.940291903384e-01
|
||||
3*0.0 1.389808873585e-02 3.785470115378e-01 1.085792804042e-01 -4.581399297387e-01 -1.332150505629e-01 4.495425469799e-01 -6.154563924825e-01 3*0.0 -2.949111292878e-01 -5.795501393476e-01 -6.447476959517e-03 5.242802866511e-01 2.779804028851e-01 -5.435740971373e-01 5.894672567729e-01
|
||||
3*0.0 9.048976902916e-03 3.740305036007e-01 1.206611146633e-01 -4.509557686646e-01 -1.385614744040e-01 4.533361650409e-01 -6.130277657673e-01 3*0.0 -2.868026276205e-01 -5.786031808926e-01 -1.960562621147e-02 5.175637131378e-01 2.833516223504e-01 -5.452395117501e-01 5.848777091084e-01
|
||||
3*0.0 4.372669152180e-03 3.695231846824e-01 1.322433241036e-01 -4.438027157768e-01 -1.437360908787e-01 4.568798032069e-01 -6.104465648168e-01 3*0.0 -2.785973578066e-01 -5.775051677452e-01 -3.253254416442e-02 5.108519564762e-01 2.886515318418e-01 -5.467485473425e-01 5.802599126815e-01
|
||||
3*0.0 -1.335665110169e-04 3.650283913992e-01 1.433345294401e-01 -4.366857099875e-01 -1.487397887145e-01 4.601715861008e-01 -6.077124783682e-01 3*0.0 -2.703036139505e-01 -5.762596701292e-01 -4.522304871193e-02 5.041476923358e-01 2.938766110334e-01 -5.481006600175e-01 5.756133728824e-01
|
||||
3*0.0 -4.469651957632e-03 3.605495288578e-01 1.539481579764e-01 -4.296093832791e-01 -1.535720406460e-01 4.632133861983e-01 -6.048254781786e-01 3*0.0 -2.619295580127e-01 -5.748702579211e-01 -5.767235148448e-02 4.974535274943e-01 2.990234740590e-01 -5.492954943532e-01 5.709377313330e-01
|
||||
3*0.0 -8.643980077445e-03 3.560886785195e-01 1.640852191608e-01 -4.225778126716e-01 -1.582382735145e-01 4.660001563383e-01 -6.017876455009e-01 3*0.0 -2.534832152966e-01 -5.733404978985e-01 -6.987605042921e-02 4.907719992943e-01 3.040888702562e-01 -5.503328801327e-01 5.662327617997e-01
|
||||
3*0.0 -1.265772345561e-02 3.516489348513e-01 1.737593325115e-01 -4.155949731189e-01 -1.627380178252e-01 4.685344587669e-01 -5.986000382728e-01 3*0.0 -2.449724702850e-01 -5.716739510950e-01 -8.183012206009e-02 4.841055752282e-01 3.090696846907e-01 -5.512128286953e-01 5.614983658801e-01
|
||||
3*0.0 -1.651384345796e-02 3.472327931731e-01 1.829806068588e-01 -4.086644894469e-01 -1.670728034640e-01 4.708175934685e-01 -5.952646254528e-01 3*0.0 -2.364050628152e-01 -5.698741702584e-01 -9.353091341413e-02 4.774566526440e-01 3.139629384676e-01 -5.519355289489e-01 5.567345684983e-01
|
||||
3*0.0 -2.021542476502e-02 3.428425634926e-01 1.917594082741e-01 -4.017897069391e-01 -1.712443373144e-01 4.728514964609e-01 -5.917838580128e-01 3*0.0 -2.277885845829e-01 -5.679446974125e-01 -1.049751337480e-01 4.708275585652e-01 3.187657888374e-01 -5.525013430781e-01 5.519415132398e-01
|
||||
3*0.0 -2.376571088117e-02 3.384803792908e-01 2.001062789121e-01 -3.949737047585e-01 -1.752545159161e-01 4.746386627215e-01 -5.881606363924e-01 3*0.0 -2.191304759655e-01 -5.658890615186e-01 -1.161598460069e-01 4.642205496183e-01 3.234755291045e-01 -5.529108019835e-01 5.471194575566e-01
|
||||
3*0.0 -2.716812853829e-02 3.341482067959e-01 2.080318779651e-01 -3.882193083264e-01 -1.791054319830e-01 4.761820834948e-01 -5.843982753570e-01 3*0.0 -2.104380231542e-01 -5.637107762359e-01 -1.270824580972e-01 4.576378120631e-01 3.280895883440e-01 -5.531646004836e-01 5.422687678707e-01
|
||||
3*0.0 -3.042629524980e-02 3.298478540133e-01 2.155469441904e-01 -3.815291008511e-01 -1.827993715209e-01 4.774851968546e-01 -5.805004645515e-01 3*0.0 -2.017183555858e-01 -5.614133377794e-01 -1.377407139904e-01 4.510814619176e-01 3.326055309352e-01 -5.532635923100e-01 5.373899146001e-01
|
||||
3*0.0 -3.354400891463e-02 3.255809789915e-01 2.226622755973e-01 -3.749054342475e-01 -1.863388010177e-01 4.785518485488e-01 -5.764712248135e-01 3*0.0 -1.929784436619e-01 -5.590002228725e-01 -1.481326846865e-01 4.445535451747e-01 3.370210559195e-01 -5.532087849241e-01 5.324834671323e-01
|
||||
3*0.0 -3.652522219376e-02 3.213490971120e-01 2.293887195978e-01 -3.683504396733e-01 -1.897263465063e-01 4.793862593130e-01 -5.723148616891e-01 3*0.0 -1.842250967485e-01 -5.564748867931e-01 -1.582567590630e-01 4.380560381023e-01 3.413339961884e-01 -5.530013341822e-01 5.275500887660e-01
|
||||
3*0.0 -3.937400663959e-02 3.171535874804e-01 2.357371663023e-01 -3.618660378706e-01 -1.929647676796e-01 4.799929948621e-01 -5.680359183436e-01 3*0.0 -1.754649614425e-01 -5.538407615105e-01 -1.681116346323e-01 4.315908476240e-01 3.455423175109e-01 -5.526425388744e-01 5.225905316409e-01
|
||||
3*0.0 -4.209451212522e-02 3.129956986778e-01 2.417185385660e-01 -3.554539494542e-01 -1.960569305018e-01 4.803769354355e-01 -5.636391301573e-01 3*0.0 -1.667045200975e-01 -5.511012539126e-01 -1.776963082317e-01 4.251598117733e-01 3.496441174064e-01 -5.521338351599e-01 5.176056316748e-01
|
||||
3*0.0 -4.469092641140e-02 3.088765542016e-01 2.473437744865e-01 -3.491157052440e-01 -1.990057811543e-01 4.805432428692e-01 -5.591293828805e-01 3*0.0 -1.579500895978e-01 -5.482597441196e-01 -1.870100666658e-01 4.187647002183e-01 3.536376238713e-01 -5.514767909216e-01 5.125963035227e-01
|
||||
3*0.0 -4.716743836939e-02 3.047971578908e-01 2.526238007751e-01 -3.428526566770e-01 -2.018143231166e-01 4.804973244402e-01 -5.545116754884e-01 3*0.0 -1.492078203704e-01 -5.453195838834e-01 -1.960524773230e-01 4.124072148504e-01 3.575211939663e-01 -5.506731000604e-01 5.075635355745e-01
|
||||
3*0.0 -4.952820701741e-02 3.007583995257e-01 2.575694980920e-01 -3.366659862300e-01 -2.044855981479e-01 4.802447939268e-01 -5.497910880597e-01 3*0.0 -1.404836956258e-01 -5.422840950706e-01 -2.048233787833e-01 4.060889904337e-01 3.612933122726e-01 -5.497245767477e-01 5.025083850052e-01
|
||||
3*0.0 -5.177733741205e-02 2.967610606589e-01 2.621916614737e-01 -3.305567176853e-01 -2.070226711480e-01 4.797914312331e-01 -5.449727543171e-01 3*0.0 -1.317835308175e-01 -5.391565682269e-01 -2.133228714359e-01 3.998115953110e-01 3.649525892230e-01 -5.486331496548e-01 4.974319728876e-01
|
||||
3*0.0 -5.391886358281e-02 2.928058205985e-01 2.665009600141e-01 -3.245257260071e-01 -2.094286184005e-01 4.791431424049e-01 -5.400618380586e-01 3*0.0 -1.231129733102e-01 -5.359402612205e-01 -2.215513081215e-01 3.935765321605e-01 3.684977593176e-01 -5.474008561750e-01 4.923354793818e-01
|
||||
3*0.0 -5.595673801989e-02 2.888932623746e-01 2.705078999484e-01 -3.185737466256e-01 -2.117065184622e-01 4.783059219032e-01 -5.350635126304e-01 3*0.0 -1.144775022487e-01 -5.326383979633e-01 -2.295092848161e-01 3.873852388016e-01 3.719276792293e-01 -5.460298366543e-01 4.872201390086e-01
|
||||
3*0.0 -5.789482667739e-02 2.850238785067e-01 2.742227944301e-01 -3.127013840353e-01 -2.138594449116e-01 4.772858186958e-01 -5.299829427632e-01 3*0.0 -1.058824286161e-01 -5.292541672075e-01 -2.371976313690e-01 3.812390890442e-01 3.752413258077e-01 -5.445223286450e-01 4.820872360178e-01
|
||||
3*0.0 -5.973690808613e-02 2.811980764445e-01 2.776557419371e-01 -3.069091197554e-01 -2.158904602428e-01 4.760889071959e-01 -5.248252683656e-01 3*0.0 -9.733289547382e-02 -5.257907214152e-01 -2.446174023086e-01 3.751393935786e-01 3.784377939883e-01 -5.428806611939e-01 4.769380998571e-01
|
||||
3*0.0 -6.148667507185e-02 2.774161836581e-01 2.808166137706e-01 -3.011973197966e-01 -2.178026103955e-01 4.747212634769e-01 -5.195955900867e-01 3*0.0 -8.883387837465e-02 -5.222511756994e-01 -2.517698677273e-01 3.690874009028e-01 3.815162946145e-01 -5.411072491797e-01 4.717741007508e-01
|
||||
3*0.0 -6.314773778286e-02 2.736784524472e-01 2.837150498157e-01 -2.955662418046e-01 -2.195989196977e-01 4.731889466263e-01 -5.142989565715e-01 3*0.0 -8.039018593863e-02 -5.186386068348e-01 -2.586565042576e-01 3.630842982826e-01 3.844761521783e-01 -5.392045877084e-01 4.665966453916e-01
|
||||
3*0.0 -6.472362717507e-02 2.699850645821e-01 2.863604608340e-01 -2.900160419868e-01 -2.212823863090e-01 4.714979846641e-01 -5.089403533359e-01 3*0.0 -7.200646058499e-02 -5.149560523351e-01 -2.652789861488e-01 3.571312127439e-01 3.873168024888e-01 -5.371752465778e-01 4.614071727531e-01
|
||||
3*0.0 -6.621779861492e-02 2.663361358676e-01 2.887620351397e-01 -2.845467818441e-01 -2.228559784844e-01 4.696543641856e-01 -5.035246931657e-01 3*0.0 -6.368717941102e-02 -5.112065095968e-01 -2.716391764535e-01 3.512292120908e-01 3.900377902730e-01 -5.350218648205e-01 4.562071500254e-01
|
||||
3*0.0 -6.763363564788e-02 2.627317206637e-01 2.909287475351e-01 -2.791584346534e-01 -2.243226320521e-01 4.676640227979e-01 -4.980568079327e-01 3*0.0 -5.543665521013e-02 -5.073929351051e-01 -2.777391183327e-01 3.453793059494e-01 3.926387667172e-01 -5.327471453331e-01 4.509980686785e-01
|
||||
3*0.0 -6.897445410754e-02 2.591718163191e-01 2.928693687238e-01 -2.738508916241e-01 -2.256852493673e-01 4.655328434688e-01 -4.925414417478e-01 3*0.0 -4.725903762131e-02 -5.035182437026e-01 -2.835810264875e-01 3.395824468335e-01 3.951194869541e-01 -5.303538496002e-01 4.457814406558e-01
|
||||
3*0.0 -7.024350658476e-02 2.556563674365e-01 2.945924739019e-01 -2.686239676806e-01 -2.269466997161e-01 4.632666500238e-01 -4.869832453861e-01 3*0.0 -3.915831440250e-02 -4.995853079163e-01 -2.891672787237e-01 3.338395312291e-01 3.974798075040e-01 -5.278447925187e-01 4.405587947008e-01
|
||||
3*0.0 -7.144398693407e-02 2.521852698748e-01 2.961064496820e-01 -2.634774068716e-01 -2.281098207781e-01 4.608712031582e-01 -4.813867718997e-01 3*0.0 -3.113831282061e-02 -4.955969573433e-01 -2.945004076563e-01 3.281514006966e-01 3.997196836735e-01 -5.252228373304e-01 4.353316728172e-01
|
||||
3*0.0 -7.257903413003e-02 2.487583744220e-01 2.974194988361e-01 -2.584108874536e-01 -2.291774204547e-01 4.583521964300e-01 -4.757564732375e-01 3*0.0 -2.320270115106e-02 -4.915559780917e-01 -2.995830925586e-01 3.225188429869e-01 4.018391669199e-01 -5.224908906660e-01 4.301016268658e-01
|
||||
3*0.0 -7.365173456590e-02 2.453754901123e-01 2.985396425419e-01 -2.534240267061e-01 -2.301522782195e-01 4.557152517764e-01 -4.700966975678e-01 3*0.0 -1.535499028026e-02 -4.874651122754e-01 -3.044181513630e-01 3.169425931696e-01 4.038384021860e-01 -5.196518977069e-01 4.248702152967e-01
|
||||
3*0.0 -7.466512191554e-02 2.420363871988e-01 2.994747199458e-01 -2.485163855174e-01 -2.310371452179e-01 4.529659141824e-01 -4.644116868858e-01 3*0.0 -7.598535404244e-03 -4.833270575614e-01 -3.090085328149e-01 3.114233347726e-01 4.057176252109e-01 -5.167088374694e-01 4.196390000185e-01
|
||||
3*0.0 -7.562217396824e-02 2.387407998243e-01 3.002323849949e-01 -2.436874727454e-01 -2.318347425945e-01 4.501096452575e-01 -4.587055744577e-01 3*0.0 6.346218269002e-05 -4.791444667673e-01 -3.133573087868e-01 3.059617009282e-01 4.074771598221e-01 -5.136647182126e-01 4.144095434035e-01
|
||||
3*0.0 -7.652580631925e-02 2.354884284519e-01 3.008201007101e-01 -2.389367493279e-01 -2.325477579061e-01 4.471518156704e-01 -4.529823817481e-01 3*0.0 7.627953215422e-03 -4.749199475071e-01 -3.174676667541e-01 3.005582755269e-01 4.091174152145e-01 -5.105225729757e-01 4.091834054292e-01
|
||||
3*0.0 -7.737886332761e-02 2.322789421321e-01 3.012451313684e-01 -2.342636321175e-01 -2.331788398624e-01 4.440976966340e-01 -4.472460146827e-01 3*0.0 1.509203850743e-02 -4.706560618841e-01 -3.213429024361e-01 2.952135943752e-01 4.106388832202e-01 -5.072854552461e-01 4.039621409541e-01
|
||||
3*0.0 -7.818410720455e-02 2.291119806902e-01 3.015145333864e-01 -2.296674974375e-01 -2.337305919467e-01 4.409524508696e-01 -4.415002593685e-01 3*0.0 2.245296692776e-02 -4.663553262291e-01 -3.249864126045e-01 2.899281463556e-01 4.120421355749e-01 -5.039564347594e-01 3.987472971280e-01
|
||||
3*0.0 -7.894420637316e-02 2.259871569194e-01 3.016351459558e-01 -2.251476843985e-01 -2.342055656293e-01 4.377211236594e-01 -4.357487776397e-01 3*0.0 2.970813331088e-02 -4.620202108819e-01 -3.284016880626e-01 2.847023745891e-01 4.133278211837e-01 -5.005385934353e-01 3.935404109336e-01
|
||||
3*0.0 -7.966172430208e-02 2.229040588556e-01 3.016135825946e-01 -2.207034980479e-01 -2.346062538860e-01 4.344086346625e-01 -4.299951029556e-01 3*0.0 3.685507630469e-02 -4.576531400147e-01 -3.315923067950e-01 2.795366775962e-01 4.144966633926e-01 -4.970350214486e-01 3.883430068594e-01
|
||||
3*0.0 -8.033910987898e-02 2.198622521796e-01 3.014562246886e-01 -2.163342124387e-01 -2.349350856068e-01 4.310197711000e-01 -4.242426371809e-01 3*0.0 4.389147616154e-02 -4.532564914958e-01 -3.345619272906e-01 2.744314104569e-01 4.155494572679e-01 -4.934488134368e-01 3.831565947005e-01
|
||||
3*0.0 -8.097869011063e-02 2.168612827549e-01 3.011692178252e-01 -2.120390736791e-01 -2.351944212622e-01 4.275591827281e-01 -4.184946486513e-01 3*0.0 5.081515247701e-02 -4.488325967925e-01 -3.373142820398e-01 2.693868859673e-01 4.164870668879e-01 -4.897830648455e-01 3.779826674863e-01
|
||||
3*0.0 -8.158266558781e-02 2.139006792593e-01 3.007584713096e-01 -2.078173029843e-01 -2.353865499620e-01 4.240313787581e-01 -4.127542716962e-01 3*0.0 5.762406188103e-02 -4.443837409101e-01 -3.398531712058e-01 2.644033757920e-01 4.173104226501e-01 -4.860408684102e-01 3.728226995317e-01
|
||||
3*0.0 -8.215310880557e-02 2.109799558246e-01 3.002296608133e-01 -2.036680996931e-01 -2.355136878366e-01 4.204407266172e-01 -4.070245075352e-01 3*0.0 6.431629568565e-02 -4.399121623682e-01 -3.421824564706e-01 2.594811116115e-01 4.180205185983e-01 -4.822253107763e-01 3.676781446099e-01
|
||||
3*0.0 -8.269196513492e-02 2.080986145717e-01 2.995882337155e-01 -1.995906441704e-01 -2.355779775302e-01 4.167914522307e-01 -4.013082262594e-01 3*0.0 7.089007749359e-02 -4.354200532101e-01 -3.443060550564e-01 2.546202862618e-01 4.186184097711e-01 -4.783394692550e-01 3.625504342441e-01
|
||||
3*0.0 -8.320105603290e-02 2.052561479303e-01 2.988394164541e-01 -1.955841005004e-01 -2.355814885273e-01 4.130876413958e-01 -3.956081695009e-01 3*0.0 7.734376077163e-02 -4.309095590457e-01 -3.462279339216e-01 2.498210548680e-01 4.191052095752e-01 -4.743864087152e-01 3.574409761152e-01
|
||||
3*0.0 -8.368208396463e-02 2.024520406545e-01 2.979882231217e-01 -1.916476188936e-01 -2.355262180464e-01 4.093332418144e-01 -3.899269534032e-01 3*0.0 8.367582639243e-02 -4.263827791257e-01 -3.479521041307e-01 2.450835359677e-01 4.194820871873e-01 -4.703691786115e-01 3.523511525819e-01
|
||||
3*0.0 -8.413663848763e-02 1.996857714971e-01 2.970394646263e-01 -1.877803377701e-01 -2.354140922874e-01 4.055320654475e-01 -3.842670716136e-01 3*0.0 8.988488014866e-02 -4.218417664461e-01 -3.494826153984e-01 2.404078126267e-01 4.197502649853e-01 -4.662908101443e-01 3.472823193123e-01
|
||||
3*0.0 -8.456620299924e-02 1.969568145578e-01 2.959977579211e-01 -1.839813855397e-01 -2.352469679159e-01 4.016877910012e-01 -3.786308981723e-01 3*0.0 9.596965024266e-02 -4.172885278817e-01 -3.508235508063e-01 2.357939335422e-01 4.199110160124e-01 -4.621543135538e-01 3.422358040210e-01
|
||||
3*0.0 -8.497216174548e-02 1.942646403692e-01 2.948675350347e-01 -1.802498821437e-01 -2.350266337582e-01 3.978039665113e-01 -3.730206903270e-01 3*0.0 1.019289847551e-01 -4.127250243470e-01 -3.519790216907e-01 2.312419141375e-01 4.199656614749e-01 -4.579626755442e-01 3.372129053115e-01
|
||||
3*0.0 -8.535580681050e-02 1.916087168152e-01 2.936530518314e-01 -1.765849404482e-01 -2.347548127605e-01 3.938840121071e-01 -3.674385914006e-01 3*0.0 1.077618490956e-01 -4.081531709841e-01 -3.529531627016e-01 2.267517376425e-01 4.199155682779e-01 -4.537188568370e-01 3.322148916180e-01
|
||||
3*0.0 -8.571834492239e-02 1.889885099808e-01 2.923583965507e-01 -1.729856675805e-01 -2.344331643074e-01 3.899312230877e-01 -3.618866338711e-01 3*0.0 1.134673234385e-01 -4.035748373746e-01 -3.537501270300e-01 2.223233561632e-01 4.197621465972e-01 -4.494257898512e-01 3.272430002459e-01
|
||||
3*0.0 -8.606090400562e-02 1.864034850127e-01 2.909874982142e-01 -1.694511662676e-01 -2.340632869989e-01 3.859487734295e-01 -3.563667427778e-01 3*0.0 1.190446001467e-01 -3.989918477772e-01 -3.543740818029e-01 2.179566917380e-01 4.195068474927e-01 -4.450863765092e-01 3.222984365062e-01
|
||||
3*0.0 -8.638453947096e-02 1.838531070407e-01 2.895441349480e-01 -1.659805362032e-01 -2.336467219491e-01 3.819397197729e-01 -3.508807394865e-01 3*0.0 1.244929811856e-01 -3.944059813868e-01 -3.548292036439e-01 2.136516373796e-01 4.191511605614e-01 -4.407034861648e-01 3.173823729404e-01
|
||||
3*0.0 -8.669024025716e-02 1.813368421654e-01 2.880319421899e-01 -1.625728754233e-01 -2.331849566002e-01 3.779070058413e-01 -3.454303457445e-01 3*0.0 1.298118755313e-01 -3.898189726162e-01 -3.551196743969e-01 2.094080581033e-01 4.186966116338e-01 -4.362799536522e-01 3.124959486346e-01
|
||||
3*0.0 -8.697893462978e-02 1.788541584892e-01 2.864544206731e-01 -1.592272816453e-01 -2.326794289696e-01 3.738534671592e-01 -3.400171878831e-01 3*0.0 1.350007965732e-01 -3.852325113987e-01 -3.552496770125e-01 2.052257919410e-01 4.181447605133e-01 -4.318185774531e-01 3.076402686166e-01
|
||||
3*0.0 -8.725149571258e-02 1.764045271438e-01 2.848149440195e-01 -1.559428535143e-01 -2.321315321623e-01 3.697818358706e-01 -3.346428009853e-01 3*0.0 1.400593595160e-01 -3.806482435097e-01 -3.552233915932e-01 2.011046509394e-01 4.174971987599e-01 -4.273221179790e-01 3.028164033352e-01
|
||||
3*0.0 -8.750874668863e-02 1.739874232613e-01 2.831167657697e-01 -1.527186917074e-01 -2.315426189235e-01 3.656947454393e-01 -3.293086328492e-01 3*0.0 1.449872787812e-01 -3.760677709076e-01 -3.550449915962e-01 1.970444221430e-01 4.167555475194e-01 -4.227932959669e-01 2.980253882182e-01
|
||||
3*0.0 -8.775146557532e-02 1.716023268414e-01 2.813630257030e-01 -1.495538998698e-01 -2.309140059716e-01 3.615947350307e-01 -3.240160476206e-01 3*0.0 1.497843654114e-01 -3.714926520926e-01 -3.547186401914e-01 1.930448685619e-01 4.159214553984e-01 -4.182347909851e-01 2.932682233037e-01
|
||||
3*0.0 -8.798038946090e-02 1.692487234849e-01 2.795567553603e-01 -1.464475853838e-01 -2.302469778553e-01 3.574842534193e-01 -3.187663290331e-01 3*0.0 1.544505244792e-01 -3.669244024821e-01 -3.542484867718e-01 1.891057301225e-01 4.149965963861e-01 -4.136492400469e-01 2.885458729449e-01
|
||||
3*0.0 -8.819621809446e-02 1.669261049780e-01 2.777008827504e-01 -1.433988599932e-01 -2.295427901186e-01 3.533656623341e-01 -3.135606832605e-01 3*0.0 1.589857525022e-01 -3.623644948019e-01 -3.536386636139e-01 1.852267246025e-01 4.139826678225e-01 -4.090392363287e-01 2.838592655826e-01
|
||||
3*0.0 -8.839961674824e-02 1.646339697315e-01 2.757982362845e-01 -1.404068403261e-01 -2.288026716222e-01 3.492412392175e-01 -3.084002414336e-01 3*0.0 1.633901348670e-01 -3.578143594924e-01 -3.528932826865e-01 1.814075485494e-01 4.128813884150e-01 -4.044073279907e-01 2.792092935835e-01
|
||||
3*0.0 -8.859121831418e-02 1.623718230891e-01 2.738515480251e-01 -1.374706483559e-01 -2.280278259589e-01 3.451131794301e-01 -3.032860618985e-01 3*0.0 1.676638432629e-01 -3.532753851298e-01 -3.520164326031e-01 1.776478781813e-01 4.116944963018e-01 -3.997560170964e-01 2.745968131414e-01
|
||||
3*0.0 -8.877162464882e-02 1.601391775280e-01 2.718634563627e-01 -1.345894118403e-01 -2.272194319831e-01 3.409835979764e-01 -2.982191323006e-01 3*0.0 1.718071331273e-01 -3.487489188596e-01 -3.510121757180e-01 1.739473702718e-01 4.104237471635e-01 -3.950877586283e-01 2.700226442373e-01
|
||||
3*0.0 -8.894140723122e-02 1.579355527750e-01 2.698365082335e-01 -1.317622647579e-01 -2.263786435626e-01 3.368545308517e-01 -2.932003715584e-01 3*0.0 1.758203411049e-01 -3.442362668431e-01 -3.498845453613e-01 1.703056630170e-01 4.090709123828e-01 -3.904049595979e-01 2.654875706570e-01
|
||||
3*0.0 -8.910110723936e-02 1.557604758611e-01 2.677731609851e-01 -1.289883477517e-01 -2.255065887182e-01 3.327279361183e-01 -2.882306317715e-01 3*0.0 1.797038825214e-01 -3.397386947159e-01 -3.486375432103e-01 1.667223768852e-01 4.076377772520e-01 -3.857099782450e-01 2.609923400617e-01
|
||||
3*0.0 -8.925123517544e-02 1.536134811370e-01 2.656757839779e-01 -1.262668085692e-01 -2.246043683555e-01 3.286056948167e-01 -2.833107000833e-01 3*0.0 1.834582488741e-01 -3.352574280574e-01 -3.472751367959e-01 1.631971154500e-01 4.061261392287e-01 -3.810051233262e-01 2.565376641106e-01
|
||||
3*0.0 -8.939227017802e-02 1.514941102655e-01 2.635466599951e-01 -1.235968024845e-01 -2.236730548047e-01 3.244896118081e-01 -2.784413005016e-01 3*0.0 1.870840053400e-01 -3.307936528701e-01 -3.458012571391e-01 1.597294662047e-01 4.045378062389e-01 -3.762926534868e-01 2.521242186303e-01
|
||||
3*0.0 -8.952465914983e-02 1.494019122075e-01 2.613879865202e-01 -1.209774926837e-01 -2.227136903698e-01 3.203814166307e-01 -2.736230956756e-01 3*0.0 1.905817883029e-01 -3.263485160688e-01 -3.442197965167e-01 1.563190013601e-01 4.028745950282e-01 -3.715747767153e-01 2.477526438315e-01
|
||||
3*0.0 -8.964881581046e-02 1.473364432165e-01 2.592018769376e-01 -1.184080505993e-01 -2.217272860593e-01 3.162827644329e-01 -2.688566886275e-01 3*0.0 1.939523029014e-01 -3.219231259794e-01 -3.425346063517e-01 1.529652786248e-01 4.011383295601e-01 -3.668536498772e-01 2.434235445669e-01
|
||||
3*0.0 -8.976511975758e-02 1.452972668523e-01 2.569903617059e-01 -1.158876561850e-01 -2.207148206230e-01 3.121952370381e-01 -2.641426244492e-01 3*0.0 1.971963205977e-01 -3.175185528446e-01 -3.407494952263e-01 1.496678419672e-01 3.993308394616e-01 -3.621313783245e-01 2.391374906312e-01
|
||||
3*0.0 -8.987391559675e-02 1.432839540275e-01 2.547553895598e-01 -1.134154981366e-01 -2.196772399790e-01 3.081203441730e-01 -2.594813919823e-01 3*0.0 2.003146767698e-01 -3.131358293387e-01 -3.388682270152e-01 1.464262223608e-01 3.974539585155e-01 -3.574100155786e-01 2.348950170974e-01
|
||||
3*0.0 -8.997551218048e-02 1.412960830926e-01 2.524988287954e-01 -1.109907740650e-01 -2.186154570622e-01 3.040595248847e-01 -2.548734255082e-01 3*0.0 2.033082683276e-01 -3.087759510880e-01 -3.368945191341e-01 1.432399385114e-01 3.955095231989e-01 -3.526915630844e-01 2.306966246901e-01
|
||||
3*0.0 -9.007018198767e-02 1.393332399651e-01 2.502224686941e-01 -1.086126906402e-01 -2.175303520930e-01 3.000141491548e-01 -2.503191064802e-01 3*0.0 2.061780513526e-01 -3.044398771990e-01 -3.348320409034e-01 1.401084975672e-01 3.934993712678e-01 -3.479779700312e-01 2.265427801906e-01
|
||||
3*0.0 -9.015816067147e-02 1.373950183032e-01 2.479280211355e-01 -1.062804637209e-01 -2.164227732306e-01 2.959855197066e-01 -2.458187653217e-01 3*0.0 2.089250387653e-01 -3.001285307910e-01 -3.326844120217e-01 1.370313958111e-01 3.914253403873e-01 -3.432711332400e-01 2.224339168742e-01
|
||||
3*0.0 -9.023964680840e-02 1.354810197171e-01 2.456171224378e-01 -1.039933184844e-01 -2.152935375569e-01 2.919748739901e-01 -2.413726833102e-01 3*0.0 2.115502980177e-01 -2.958427995355e-01 -3.304552011472e-01 1.340081193365e-01 3.892892668067e-01 -3.385728971119e-01 2.183704349751e-01
|
||||
3*0.0 -9.031480188766e-02 1.335908540071e-01 2.432913354527e-01 -1.017504895666e-01 -2.141434323235e-01 2.879833863182e-01 -2.369810945470e-01 3*0.0 2.140549488141e-01 -2.915835361991e-01 -3.281479245845e-01 1.310381447046e-01 3.870929840786e-01 -3.338850536367e-01 2.143527021788e-01
|
||||
3*0.0 -9.038375058753e-02 1.317241394149e-01 2.409521519213e-01 -9.955122121419e-02 -2.129732163918e-01 2.840121701187e-01 -2.326441880041e-01 3*0.0 2.164401608607e-01 -2.873515591911e-01 -3.257660450730e-01 1.281209395861e-01 3.848383218226e-01 -3.292093424594e-01 2.103810541381e-01
|
||||
3*0.0 -9.044658138699e-02 1.298805028654e-01 2.386009950810e-01 -9.739476744453e-02 -2.117836217940e-01 2.800622802597e-01 -2.283621096206e-01 3*0.0 2.187071516437e-01 -2.831476531151e-01 -3.233129706741e-01 1.252559633847e-01 3.825271045319e-01 -3.245474509999e-01 2.064557950124e-01
|
||||
3*0.0 -9.050334755794e-02 1.280595801840e-01 2.362392224971e-01 -9.528039220547e-02 -2.105753553535e-01 2.761347154057e-01 -2.241349644156e-01 3*0.0 2.208571842378e-01 -2.789725693234e-01 -3.207920537552e-01 1.224426678442e-01 3.801611504225e-01 -3.199010146255e-01 2.025771980273e-01
|
||||
3*0.0 -9.055406857301e-02 1.262610162651e-01 2.338681290775e-01 -9.320736952098e-02 -2.093491003034e-01 2.722304203581e-01 -2.199628185782e-01 3*0.0 2.228915651451e-01 -2.748270264743e-01 -3.182065900661e-01 1.196804976389e-01 3.777422703247e-01 -3.152716168730e-01 1.987455060527e-01
|
||||
3*0.0 -9.059873194635e-02 1.244844651807e-01 2.314889502220e-01 -9.117498361055e-02 -2.081055178591e-01 2.683502883455e-01 -2.158457014970e-01 3*0.0 2.248116421658e-01 -2.707117110916e-01 -3.155598179073e-01 1.169688909478e-01 3.752722666163e-01 -3.106607897173e-01 1.949609321986e-01
|
||||
3*0.0 -9.063729550291e-02 1.227295902128e-01 2.291028650525e-01 -8.918252897059e-02 -2.068452487054e-01 2.644951632290e-01 -2.117836076996e-01 3*0.0 2.266188023005e-01 -2.666272781263e-01 -3.128549173839e-01 1.143072800116e-01 3.727529321958e-01 -3.060700138858e-01 1.912236604253e-01
|
||||
3*0.0 -9.066969004747e-02 1.209960638075e-01 2.267109996681e-01 -8.722931041018e-02 -2.055689143722e-01 2.606658416025e-01 -2.077764986783e-01 3*0.0 2.283144696850e-01 -2.625743515197e-01 -3.100950097459e-01 1.116950916741e-01 3.701860494963e-01 -3.015007192137e-01 1.875338461679e-01
|
||||
3*0.0 -9.069582237996e-02 1.192835674489e-01 2.243144303780e-01 -8.531464303837e-02 -2.042771184841e-01 2.568630747780e-01 -2.038243045956e-01 3*0.0 2.299001035581e-01 -2.585535247670e-01 -3.072831568099e-01 1.091317479074e-01 3.675733895390e-01 -2.969542850409e-01 1.838916169725e-01
|
||||
3*0.0 -9.071557858343e-02 1.175917914593e-01 2.219141868649e-01 -8.343785220478e-02 -2.029704478758e-01 2.530875706506e-01 -1.999269258699e-01 3*0.0 2.313771962633e-01 -2.545653614820e-01 -3.044223604599e-01 1.066166663216e-01 3.649167110251e-01 -2.924320406459e-01 1.802970731431e-01
|
||||
3*0.0 -9.072882749477e-02 1.159204347385e-01 2.195112552432e-01 -8.159827340027e-02 -2.016494735819e-01 2.493399954544e-01 -1.960842346538e-01 3*0.0 2.327472712845e-01 -2.506103959624e-01 -3.015155622247e-01 1.041492606578e-01 3.622177594657e-01 -2.879352657158e-01 1.767502883972e-01
|
||||
3*0.0 -9.074189961866e-02 1.142685388107e-01 2.171108504224e-01 -7.979504139326e-02 -2.003199633981e-01 2.456241972808e-01 -1.922975486660e-01 3*0.0 2.340118813153e-01 -2.466891337540e-01 -2.985656429293e-01 1.017289412672e-01 3.594782663498e-01 -2.834651908498e-01 1.732513105298e-01
|
||||
3*0.0 -9.073718374965e-02 1.126371569866e-01 2.147027532903e-01 -7.802793204472e-02 -1.989703061989e-01 2.419332448859e-01 -1.885632296969e-01 3*0.0 2.351726063649e-01 -2.428020522157e-01 -2.955754224174e-01 9.935511557374e-02 3.566999483480e-01 -2.790229980945e-01 1.698001620832e-01
|
||||
3*0.0 -9.072549986106e-02 1.110253516270e-01 2.122947567470e-01 -7.629610476746e-02 -1.976079194345e-01 2.382719854291e-01 -1.848830652797e-01 3*0.0 2.362310518970e-01 -2.389496010825e-01 -2.925476593422e-01 9.702718852241e-02 3.538845065530e-01 -2.746098215084e-01 1.663968410221e-01
|
||||
3*0.0 -9.070678933609e-02 1.094328499576e-01 2.098877591803e-01 -7.459893329947e-02 -1.962333534980e-01 2.346409579596e-01 -1.812568394171e-01 3*0.0 2.371888470063e-01 -2.351322030282e-01 -2.894850510234e-01 9.474456301237e-02 3.510336257550e-01 -2.702267477543e-01 1.630413214124e-01
|
||||
3*0.0 -9.068098489737e-02 1.078593861958e-01 2.074826200874e-01 -7.293580087171e-02 -1.948471452210e-01 2.310406647727e-01 -1.776843127149e-01 3*0.0 2.380476426295e-01 -2.313502542263e-01 -2.863902333675e-01 9.250664031581e-02 3.481489737521e-01 -2.658748167175e-01 1.597335541031e-01
|
||||
3*0.0 -9.064801106805e-02 1.063047014226e-01 2.050801613622e-01 -7.130610014082e-02 -1.934498182317e-01 2.274715726443e-01 -1.741652235286e-01 3*0.0 2.388091097927e-01 -2.276041249095e-01 -2.832657808491e-01 9.031282048240e-02 3.452322006939e-01 -2.615550221481e-01 1.564734674097e-01
|
||||
3*0.0 -9.060778483702e-02 1.047685434511e-01 2.026811687880e-01 -6.970923311674e-02 -1.920418834102e-01 2.239341141589e-01 -1.706992891561e-01 3*0.0 2.394749378956e-01 -2.238941599267e-01 -2.801142065503e-01 8.816250272958e-02 3.422849384591e-01 -2.572683123246e-01 1.532609677979e-01
|
||||
3*0.0 -9.056021651055e-02 1.032506666897e-01 2.002863936948e-01 -6.814461108510e-02 -1.906238394250e-01 2.204286891078e-01 -1.672862070613e-01 3*0.0 2.400468330315e-01 -2.202206792977e-01 -2.769379622565e-01 8.605508581910e-02 3.393088000653e-01 -2.530155907390e-01 1.500959405677e-01
|
||||
3*0.0 -9.050521072326e-02 1.017508319978e-01 1.978965547365e-01 -6.661165452407e-02 -1.891961733294e-01 2.169556659288e-01 -1.639256561121e-01 3*0.0 2.405265163443e-01 -2.165839787662e-01 -2.737394386057e-01 8.398996841988e-02 3.363053791102e-01 -2.487977167999e-01 1.469782505354e-01
|
||||
3*0.0 -9.044266757536e-02 1.002688065349e-01 1.955123397378e-01 -6.510979301586e-02 -1.877593611978e-01 2.135153831636e-01 -1.606172978157e-01 3*0.0 2.409157224230e-01 -2.129843303485e-01 -2.705209652886e-01 8.196654945754e-02 3.332762492447e-01 -2.446155065534e-01 1.439077427138e-01
|
||||
3*0.0 -9.037248385785e-02 9.880436360251e-02 1.931344075615e-01 -6.363846515289e-02 -1.863138687811e-01 2.101081509044e-01 -1.573607775351e-01 3*0.0 2.412161977314e-01 -2.094219828805e-01 -2.672848112988e-01 7.998422845078e-02 3.302229636760e-01 -2.404697334188e-01 1.408842429897e-01
|
||||
3*0.0 -9.029455432686e-02 9.735728247792e-02 1.907633899480e-01 -6.219711843888e-02 -1.848601521632e-01 2.067342522066e-01 -1.541557256689e-01 3*0.0 2.414296990771e-01 -2.058971625606e-01 -2.640331852280e-01 7.804240583496e-02 3.271470547005e-01 -2.363611289391e-01 1.379075587968e-01
|
||||
3*0.0 -9.020877298794e-02 9.592734824335e-02 1.883998932850e-01 -6.078520918533e-02 -1.833986583995e-01 2.033939444474e-01 -1.510017587835e-01 3*0.0 2.415579921152e-01 -2.024100734890e-01 -2.607682356075e-01 7.614048327292e-02 3.240500332659e-01 -2.322903835437e-01 1.349774797848e-01
|
||||
3*0.0 -9.011503435396e-02 9.451435160965e-02 1.860445002699e-01 -5.940220240381e-02 -1.819298261277e-01 2.000874606132e-01 -1.478984806835e-01 3*0.0 2.416028498912e-01 -1.989608982036e-01 -2.574920512909e-01 7.427786395360e-02 3.209333885616e-01 -2.282581473227e-01 1.320937784831e-01
|
||||
3*0.0 -9.001323464386e-02 9.311808873704e-02 1.836977714363e-01 -5.804757169481e-02 -1.804540861360e-01 1.968150105034e-01 -1.448454834153e-01 3*0.0 2.415660514197e-01 -1.955497982118e-01 -2.542066618774e-01 7.245395287836e-02 3.177985876372e-01 -2.242650308106e-01 1.292562109587e-01
|
||||
3*0.0 -8.990327289548e-02 9.173836105462e-02 1.813602465250e-01 -5.672079913392e-02 -1.789718618847e-01 1.935767818435e-01 -1.418423481961e-01 3*0.0 2.414493803003e-01 -1.921769145182e-01 -2.509140381732e-01 7.066815713558e-02 3.146470750475e-01 -2.203116057795e-01 1.264645174673e-01
|
||||
3*0.0 -8.978505197076e-02 9.037497507991e-02 1.790324456857e-01 -5.542137515595e-02 -1.774835699737e-01 1.903729413018e-01 -1.388886462678e-01 3*0.0 2.412546233710e-01 -1.888423681474e-01 -2.476160926891e-01 6.891988616351e-02 3.114802725247e-01 -2.163984060382e-01 1.237184230975e-01
|
||||
3*0.0 -8.965847943895e-02 8.902774224004e-02 1.767148705074e-01 -5.414879843808e-02 -1.759896205555e-01 1.872036354127e-01 -1.359839396759e-01 3*0.0 2.409835693984e-01 -1.855462606628e-01 -2.443146801721e-01 6.720855200184e-02 3.082995786757e-01 -2.125259282392e-01 1.210176384080e-01
|
||||
3*0.0 -8.952346832963e-02 8.769647869582e-02 1.744080048799e-01 -5.290257578261e-02 -1.744904176929e-01 1.840689914076e-01 -1.331277819769e-01 3*0.0 2.406380078042e-01 -1.822886746809e-01 -2.410115981696e-01 6.553356953213e-02 3.051063687053e-01 -2.086946326893e-01 1.183618600560e-01
|
||||
3*0.0 -8.937993775336e-02 8.638100516942e-02 1.721123156959e-01 -5.168222199995e-02 -1.729863596620e-01 1.809691179611e-01 -1.303197188790e-01 3*0.0 2.402197274289e-01 -1.790696743798e-01 -2.377085876236e-01 6.389435670731e-02 3.019019941631e-01 -2.049049441649e-01 1.157507714173e-01
|
||||
3*0.0 -8.922781339336e-02 8.508114677625e-02 1.698282534105e-01 -5.048725979245e-02 -1.714778392061e-01 1.779041058599e-01 -1.275592888234e-01 3*0.0 2.397305153321e-01 -1.758893060032e-01 -2.344073334934e-01 6.229033477064e-02 2.986877827150e-01 -2.011572527298e-01 1.131840431980e-01
|
||||
3*0.0 -8.906702787630e-02 8.379673286119e-02 1.675562524751e-01 -4.931721963946e-02 -1.699652437416e-01 1.748740286056e-01 -1.248460235117e-01 3*0.0 2.391721556291e-01 -1.727475983595e-01 -2.311094654054e-01 6.072092846428e-02 2.954650379380e-01 -1.974519145552e-01 1.106613340363e-01
|
||||
3*0.0 -8.889752103320e-02 8.252759683922e-02 1.652967316668e-01 -4.817163968368e-02 -1.684489555219e-01 1.718789429607e-01 -1.221794483905e-01 3*0.0 2.385464283631e-01 -1.696445633152e-01 -2.278165583275e-01 5.918556622767e-02 2.922350391370e-01 -1.937892527402e-01 1.081822910947e-01
|
||||
3*0.0 -8.871924006424e-02 8.127357604006e-02 1.630500943370e-01 -4.705006561911e-02 -1.669293517651e-01 1.689188894484e-01 -1.195590830984e-01 3*0.0 2.378551084145e-01 -1.665801962823e-01 -2.245301332671e-01 5.768368038613e-02 2.889990411844e-01 -1.901695581323e-01 1.057465506430e-01
|
||||
3*0.0 -8.853213962195e-02 8.003451155677e-02 1.608167285984e-01 -4.595205058051e-02 -1.654068047484e-01 1.659938928190e-01 -1.169844418846e-01 3*0.0 2.370999644450e-01 -1.635544767016e-01 -2.212516579908e-01 5.621470732976e-02 2.857582743809e-01 -1.865930901475e-01 1.033537386299e-01
|
||||
3*0.0 -8.833618182767e-02 7.881024809773e-02 1.585970074740e-01 -4.487715503430e-02 -1.638816818766e-01 1.631039624895e-01 -1.144550340061e-01 3*0.0 2.362827578772e-01 -1.605673685185e-01 -2.179825477634e-01 5.477808768295e-02 2.825139443370e-01 -1.830600775880e-01 1.010034712450e-01
|
||||
3*0.0 -8.813133623534e-02 7.760063384202e-02 1.563912890245e-01 -4.382494667108e-02 -1.623543457272e-01 1.602490929680e-01 -1.119703641094e-01 3*0.0 2.354052419104e-01 -1.576188206544e-01 -2.147241661068e-01 5.337326646477e-02 2.792672318755e-01 -1.795707194579e-01 9.869535547001e-02
|
||||
3*0.0 -8.791757975541e-02 7.640552029788e-02 1.541999164710e-01 -4.279500029950e-02 -1.608251540790e-01 1.574292642687e-01 -1.095299326032e-01 3*0.0 2.344691605698e-01 -1.547087674711e-01 -2.114778255747e-01 5.199969324045e-02 2.760192929526e-01 -1.761251857751e-01 9.642898961839e-02
|
||||
3*0.0 -8.769489654969e-02 7.522476216422e-02 1.520232183272e-01 -4.178689774156e-02 -1.592944599252e-01 1.546444423244e-01 -1.071332360248e-01 3*0.0 2.334762477918e-01 -1.518371292302e-01 -2.082447885434e-01 5.065682226411e-02 2.727712585992e-01 -1.727236183798e-01 9.420396386459e-02
|
||||
3*0.0 -8.746327790657e-02 7.405821719548e-02 1.498615085488e-01 -4.080022772939e-02 -1.577626114773e-01 1.518945794009e-01 -1.047797674054e-01 3*0.0 2.324282265421e-01 -1.490038125458e-01 -2.050262680167e-01 4.934411261319e-02 2.695242348805e-01 -1.693661317378e-01 9.201986076167e-02
|
||||
3*0.0 -8.722272210335e-02 7.290574606966e-02 1.477150867103e-01 -3.983458580351e-02 -1.562299521612e-01 1.491796145169e-01 -1.024690166353e-01 3*0.0 2.313268079690e-01 -1.462087108307e-01 -2.018234284435e-01 4.806102831449e-02 2.662793028732e-01 -1.660528137385e-01 8.987625574762e-02
|
||||
3*0.0 -8.697323426135e-02 7.176721226005e-02 1.455842382097e-01 -3.888957421260e-02 -1.546968206081e-01 1.464994738699e-01 -1.002004708303e-01 3*0.0 2.301736905896e-01 -1.434517047370e-01 -1.986373865469e-01 4.680703846238e-02 2.630375186606e-01 -1.627837264875e-01 8.777271764020e-02
|
||||
3*0.0 -8.671482619710e-02 7.064248191075e-02 1.434692345058e-01 -3.796480181470e-02 -1.531635506423e-01 1.438540712704e-01 -9.797361470023e-02 3*0.0 2.289705595091e-01 -1.407326625903e-01 -1.954692121633e-01 4.558161732920e-02 2.597999133450e-01 -1.595589070920e-01 8.570880912016e-02
|
||||
3*0.0 -8.644751627243e-02 6.953142371617e-02 1.413703333848e-01 -3.705988397999e-02 -1.516304712675e-01 1.412433085822e-01 -9.578793091748e-02 3*0.0 2.277190856730e-01 -1.380514408167e-01 -1.923199290909e-01 4.438424446810e-02 2.565674930755e-01 -1.563783684398e-01 8.368408720287e-02
|
||||
3*0.0 -8.617132924437e-02 6.843390880479e-02 1.392877792550e-01 -3.617444249498e-02 -1.500979066522e-01 1.386670761689e-01 -9.364290048635e-02 3*0.0 2.264209251520e-01 -1.354078843645e-01 -1.891905159455e-01 4.321440480860e-02 2.533412390926e-01 -1.532420999701e-01 8.169810369814e-02
|
||||
3*0.0 -8.588629611558e-02 6.734981062705e-02 1.372218034654e-01 -3.530810546813e-02 -1.485661761150e-01 1.361252533425e-01 -9.153800310953e-02 3*0.0 2.250777184582e-01 -1.328018271184e-01 -1.860819070231e-01 4.207158874507e-02 2.501221077879e-01 -1.501500684369e-01 7.975040565846e-02
|
||||
3*0.0 -8.559245398540e-02 6.627900484758e-02 1.351726246423e-01 -3.446050723676e-02 -1.470355941093e-01 1.336177088140e-01 -8.947271755065e-02 3*0.0 2.236910898935e-01 -1.302330923080e-01 -1.829949931678e-01 4.095529221832e-02 2.469110307786e-01 -1.471022186638e-01 7.784053581538e-02
|
||||
3*0.0 -8.528984590104e-02 6.522136924169e-02 1.331404490403e-01 -3.363128827514e-02 -1.455064702084e-01 1.311443011409e-01 -8.744652199047e-02 3*0.0 2.222626469284e-01 -1.277014929086e-01 -1.799306226447e-01 3.986501679050e-02 2.437089149960e-01 -1.440984742891e-01 7.596803300422e-02
|
||||
3*0.0 -8.497852070885e-02 6.417678359574e-02 1.311254709006e-01 -3.282009510381e-02 -1.439791090888e-01 1.287048791705e-01 -8.545889437430e-02 3*0.0 2.207939796120e-01 -1.252068320366e-01 -1.768896020154e-01 3.880026971355e-02 2.405166427887e-01 -1.411387385033e-01 7.413243257703e-02
|
||||
3*0.0 -8.465853290497e-02 6.314512961151e-02 1.291278728119e-01 -3.202658019987e-02 -1.424538105136e-01 1.262992824752e-01 -8.350931274885e-02 3*0.0 2.192866600117e-01 -1.227489033374e-01 -1.738726970167e-01 3.776056399147e-02 2.373350720384e-01 -1.382228947755e-01 7.233326680388e-02
|
||||
3*0.0 -8.432994248524e-02 6.212629081427e-02 1.271478260694e-01 -3.125040190824e-02 -1.409308693129e-01 1.239273417783e-01 -8.159725558634e-02 3*0.0 2.177422416826e-01 -1.203274913670e-01 -1.708806334402e-01 3.674541843641e-02 2.341650362887e-01 -1.353508075702e-01 7.057006526251e-02
|
||||
3*0.0 -8.399281479426e-02 6.112015246416e-02 1.251854910260e-01 -3.049122435397e-02 -1.394105753628e-01 1.215888793673e-01 -7.972220209462e-02 3*0.0 2.161622591667e-01 -1.179423719665e-01 -1.679140980128e-01 3.575435771902e-02 2.310073448867e-01 -1.325223230547e-01 6.884235521639e-02
|
||||
3*0.0 -8.364722037351e-02 6.012660147094e-02 1.232410174344e-01 -2.974871735537e-02 -1.378932135612e-01 1.192837094936e-01 -7.788363251183e-02 3*0.0 2.145482275197e-01 -1.155933126304e-01 -1.649737392770e-01 3.478691241308e-02 2.278627831358e-01 -1.297372697948e-01 6.714966198132e-02
|
||||
3*0.0 -8.329323480889e-02 5.914552631171e-02 1.213145447741e-01 -2.902255633809e-02 -1.363790638019e-01 1.170116387573e-01 -7.608102838497e-02 3*0.0 2.129016418666e-01 -1.132800728678e-01 -1.620601684695e-01 3.384261903470e-02 2.247321124610e-01 -1.269954594405e-01 6.549150928054e-02
|
||||
3*0.0 -8.293093857815e-02 5.817681695165e-02 1.194062025643e-01 -2.831242225029e-02 -1.348684009453e-01 1.147724664755e-01 -7.431387283176e-02 3*0.0 2.112239769853e-01 -1.110024045569e-01 -1.591739603988e-01 3.292102007624e-02 2.216160705838e-01 -1.242966874004e-01 6.386741958855e-02
|
||||
3*0.0 -8.256041689861e-02 5.722036476736e-02 1.175161106583e-01 -2.761800147867e-02 -1.333614947877e-01 1.125659850355e-01 -7.258165078570e-02 3*0.0 2.095166869164e-01 -1.087600522929e-01 -1.563156543195e-01 3.202166403510e-02 2.185153717090e-01 -1.216407335049e-01 6.227691446373e-02
|
||||
3*0.0 -8.218175957621e-02 5.627606247319e-02 1.156443795206e-01 -2.693898576559e-02 -1.318586100290e-01 1.103919802309e-01 -7.088384922451e-02 3*0.0 2.077812046005e-01 -1.065527537293e-01 -1.534857548032e-01 3.114410543764e-02 2.154307067206e-01 -1.190273626583e-01 6.071951486979e-02
|
||||
3*0.0 -8.179506085633e-02 5.534380405002e-02 1.137911104861e-01 -2.627507212733e-02 -1.303600062407e-01 1.082502315821e-01 -6.921995738241e-02 3*0.0 2.060189415410e-01 -1.043802399117e-01 -1.506847326057e-01 3.028790485839e-02 2.123627433879e-01 -1.164563254789e-01 5.919474148628e-02
|
||||
3*0.0 -8.140041927774e-02 5.442348467681e-02 1.119563960014e-01 -2.562596277349e-02 -1.288659378334e-01 1.061405126425e-01 -6.758946694691e-02 3*0.0 2.042312874925e-01 -1.022422356059e-01 -1.479130255291e-01 2.945262893462e-02 2.093121265809e-01 -1.139273589274e-01 5.770211500821e-02
|
||||
3*0.0 -8.099793753009e-02 5.351500066489e-02 1.101403198497e-01 -2.499136502755e-02 -1.273766540279e-01 1.040625912898e-01 -6.599187224106e-02 3*0.0 2.024196101746e-01 -1.001384596187e-01 -1.451710392791e-01 2.863785037661e-02 2.062794784937e-01 -1.114401869242e-01 5.624115643496e-02
|
||||
3*0.0 -8.058772231601e-02 5.261824939494e-02 1.083429573606e-01 -2.437099124864e-02 -1.258923988288e-01 1.020162300049e-01 -6.442667039198e-02 3*0.0 2.005852550096e-01 -9.806862511224e-02 -1.424591483156e-01 2.784314797366e-02 2.032653988775e-01 -1.089945209537e-01 5.481138734861e-02
|
||||
3*0.0 -8.016988421861e-02 5.173312925659e-02 1.065643756071e-01 -2.376455875454e-02 -1.244134110023e-01 1.000011861391e-01 -6.289336148708e-02 3*0.0 1.987295448846e-01 -9.603243991125e-02 -1.397776966974e-01 2.706810659605e-02 2.002704652804e-01 -1.065900606574e-01 5.341233018184e-02
|
||||
3*0.0 -7.974453757460e-02 5.085953959100e-02 1.048046335900e-01 -2.317178974592e-02 -1.229399240607e-01 9.801721217103e-02 -6.139144871889e-02 3*0.0 1.968537799366e-01 -9.402960680439e-02 -1.371269989197e-01 2.631231719311e-02 1.972952332959e-01 -1.042264944144e-01 5.204350847556e-02
|
||||
3*0.0 -7.931180035393e-02 4.999738063598e-02 1.030637824142e-01 -2.259241123187e-02 -1.214721662526e-01 9.606405595510e-02 -5.992043851981e-02 3*0.0 1.949592373604e-01 -9.205982383842e-02 -1.345073407441e-01 2.557537678753e-02 1.943402368173e-01 -1.019034999102e-01 5.070444712642e-02
|
||||
3*0.0 -7.887179404572e-02 4.914655347399e-02 1.013418654568e-01 -2.202615495659e-02 -1.200103605613e-01 9.414146096166e-02 -5.847984068792e-02 3*0.0 1.930471712390e-01 -9.012278460594e-02 -1.319189800205e-01 2.485688846614e-02 1.914059883001e-01 -9.962074469270e-02 4.939467262435e-02
|
||||
3*0.0 -7.842464355058e-02 4.830695998284e-02 9.963891853041e-02 -2.147275732724e-02 -1.185547247100e-01 9.224916651126e-02 -5.706916850480e-02 3*0.0 1.911188123953e-01 -8.821817852668e-02 -1.293621475009e-01 2.415646136721e-02 1.884929790301e-01 -9.737788671651e-02 4.811371328041e-02
|
||||
3*0.0 -7.797047707925e-02 4.747850278893e-02 9.795497004314e-02 -2.093195934313e-02 -1.171054711762e-01 9.038690800322e-02 -5.568793884660e-02 3*0.0 1.891753682656e-01 -8.634569112221e-02 -1.268370476440e-01 2.347371066447e-02 1.856016793977e-01 -9.517457487477e-02 4.686109944488e-02
|
||||
3*0.0 -7.750942605681e-02 4.666108522319e-02 9.629004115627e-02 -2.040350652598e-02 -1.156628072129e-01 8.855441713992e-02 -5.433567228905e-02 3*0.0 1.872180227927e-01 -8.450500428420e-02 -1.243438594107e-01 2.280825754800e-02 1.827325391781e-01 -9.301044951879e-02 4.563636371612e-02
|
||||
3*0.0 -7.704162503204e-02 4.585461127947e-02 9.464414594215e-02 -1.988714885126e-02 -1.142269348780e-01 8.675142214706e-02 -5.301189320720e-02 3*0.0 1.852479363398e-01 -8.269579653629e-02 -1.218827370503e-01 2.215972920207e-02 1.798859878163e-01 -9.088514296543e-02 4.443904113998e-02
|
||||
3*0.0 -7.656721159092e-02 4.505898557526e-02 9.301729154257e-02 -1.938264068070e-02 -1.127980510704e-01 8.497764799060e-02 -5.171612987062e-02 3*0.0 1.832662456235e-01 -8.091774328961e-02 -1.194538108764e-01 2.152775878023e-02 1.770624347174e-01 -8.879827999234e-02 4.326866940032e-02
|
||||
3*0.0 -7.608632627350e-02 4.427411331469e-02 9.140947832884e-02 -1.888974069587e-02 -1.113763475719e-01 8.323281659096e-02 -5.044791453443e-02 3*0.0 1.812740636657e-01 -7.917051709192e-02 -1.170571880329e-01 2.091198537748e-02 1.742622695416e-01 -8.674947832095e-02 4.212478900053e-02
|
||||
3*0.0 -7.559911249292e-02 4.349990025378e-02 8.982070006399e-02 -1.840821183276e-02 -1.099620110951e-01 8.151664703418e-02 -4.920678352658e-02 3*0.0 1.792724797643e-01 -7.745378787054e-02 -1.146929532489e-01 2.031205400002e-02 1.714858625034e-01 -8.473834908747e-02 4.100694343639e-02
|
||||
3*0.0 -7.510571645544e-02 4.273625266760e-02 8.825094406735e-02 -1.793782121740e-02 -1.085552233345e-01 7.982885578043e-02 -4.799227733166e-02 3*0.0 1.772625594808e-01 -7.576722316909e-02 -1.123611695841e-01 1.972761553239e-02 1.687335646744e-01 -8.276449730171e-02 3.991467936046e-02
|
||||
3*0.0 -7.460628708031e-02 4.198307731938e-02 8.670019138156e-02 -1.747834010234e-02 -1.071561610212e-01 7.816915686954e-02 -4.680394067121e-02 3*0.0 1.752453446458e-01 -7.411048837799e-02 -1.100618791614e-01 1.915832670231e-02 1.660057082901e-01 -8.082752229401e-02 3.884754673811e-02
|
||||
3*0.0 -7.410097591854e-02 4.124028143158e-02 8.516841694177e-02 -1.702954380424e-02 -1.057649959791e-01 7.653726212367e-02 -4.564132258080e-02 3*0.0 1.732218533814e-01 -7.248324695901e-02 -1.077951038901e-01 1.860385004326e-02 1.633026070599e-01 -7.892701815019e-02 3.780509899543e-02
|
||||
3*0.0 -7.358993706901e-02 4.050777265859e-02 8.365558974650e-02 -1.659121164225e-02 -1.043818951822e-01 7.493288134632e-02 -4.450397648358e-02 3*0.0 1.711930801391e-01 -7.088516066362e-02 -1.055608461763e-01 1.806385385498e-02 1.606245564799e-01 -7.706257413476e-02 3.678689315918e-02
|
||||
3*0.0 -7.307332709116e-02 3.978545906109e-02 8.216167302978e-02 -1.616312687730e-02 -1.030070208116e-01 7.335572251793e-02 -4.339146026041e-02 3*0.0 1.691599957536e-01 -6.931588974552e-02 -1.033590896224e-01 1.753801216189e-02 1.579718341489e-01 -7.523377510231e-02 3.579248998907e-02
|
||||
3*0.0 -7.255130491324e-02 3.907324908205e-02 8.068662443377e-02 -1.574507665222e-02 -1.016405303108e-01 7.180549198716e-02 -4.230333631624e-02 3*0.0 1.671235475120e-01 -6.777509316720e-02 -1.011897997145e-01 1.702600466967e-02 1.553447000859e-01 -7.344020189735e-02 3.482145410240e-02
|
||||
3*0.0 -7.202403173505e-02 3.837105152432e-02 7.923039618115e-02 -1.533685193269e-02 -1.002825764397e-01 7.028189465793e-02 -4.123917164279e-02 3*0.0 1.650846592371e-01 -6.626242880063e-02 -9.905292449849e-02 1.652751672003e-02 1.527433970507e-01 -7.168143174263e-02 3.387335409134e-02
|
||||
3*0.0 -7.149167092476e-02 3.767877552954e-02 7.779293524656e-02 -1.493824744915e-02 -9.893330732569e-02 6.878463417166e-02 -4.019853787711e-02 3*0.0 1.630442313850e-01 -6.477755362226e-02 -9.694839524304e-02 1.604223924381e-02 1.501681508654e-01 -6.995703861597e-02 3.294776263311e-02
|
||||
3*0.0 -7.095438790887e-02 3.699633055872e-02 7.637418352631e-02 -1.454906163917e-02 -9.759286651111e-02 6.731341308418e-02 -3.918101135603e-02 3*0.0 1.610031411562e-01 -6.332012390230e-02 -9.487612709153e-02 1.556986871244e-02 1.476191707381e-01 -6.826659361598e-02 3.204425659306e-02
|
||||
3*0.0 -7.041235005509e-02 3.632362637404e-02 7.497407800563e-02 -1.416909659095e-02 -9.626139299727e-02 6.586793303752e-02 -3.818617316631e-02 3*0.0 1.589622426193e-01 -6.188979538831e-02 -9.283601970118e-02 1.511010708797e-02 1.450966495879e-01 -6.660966531648e-02 3.116241712107e-02
|
||||
3*0.0 -6.986572654781e-02 3.566057302219e-02 7.359255092292e-02 -1.379815798732e-02 -9.493902128476e-02 6.444789492579e-02 -3.721360919029e-02 3*0.0 1.569223668482e-01 -6.048622348330e-02 -9.082795786999e-02 1.466266177169e-02 1.426007643700e-01 -6.498582010997e-02 3.030182974122e-02
|
||||
3*0.0 -6.931468825595e-02 3.500708081894e-02 7.222952993035e-02 -1.343605505059e-02 -9.362588140942e-02 6.305299905543e-02 -3.626291014705e-02 3*0.0 1.548843220699e-01 -5.910906341836e-02 -8.885181215142e-02 1.422724555142e-02 1.401316764027e-01 -6.339462254028e-02 2.946208443512e-02
|
||||
3*0.0 -6.875940759351e-02 3.436306033519e-02 7.088493825032e-02 -1.308260048813e-02 -9.232209897410e-02 6.168294529929e-02 -3.533367162896e-02 3*0.0 1.528488938251e-01 -5.775797041982e-02 -8.690743945655e-02 1.380357654763e-02 1.376895316943e-01 -6.183563562437e-02 2.864277571895e-02
|
||||
3*0.0 -6.820005837276e-02 3.372842238425e-02 6.955869482761e-02 -1.273761043862e-02 -9.102779517710e-02 6.033743324490e-02 -3.442549413365e-02 3*0.0 1.508168451388e-01 -5.643259987114e-02 -8.499468364392e-02 1.339137815839e-02 1.352744612703e-01 -6.030842116367e-02 2.784350271450e-02
|
||||
3*0.0 -6.763681565060e-02 3.310307801041e-02 6.825071447680e-02 -1.240090441915e-02 -8.974308683628e-02 5.901616233660e-02 -3.353798309140e-02 3*0.0 1.487889167022e-01 -5.513260746950e-02 -8.311337609685e-02 1.299037900331e-02 1.328865815007e-01 -5.881254004493e-02 2.706386921424e-02
|
||||
3*0.0 -6.706985556861e-02 3.248693847892e-02 6.696090802484e-02 -1.207230527279e-02 -8.846808641018e-02 5.771883201164e-02 -3.267074888795e-02 3*0.0 1.467658270640e-01 -5.385764937725e-02 -8.126333628835e-02 1.260031286652e-02 1.305259944275e-01 -5.734755253080e-02 2.630348374077e-02
|
||||
3*0.0 -6.649935518764e-02 3.187991526706e-02 6.568918244888e-02 -1.175163911715e-02 -8.720290201612e-02 5.644514183056e-02 -3.182340688301e-02 3*0.0 1.447482728318e-01 -5.260738236825e-02 -7.944437233360e-02 1.222091863873e-02 1.281927880909e-01 -5.591301854032e-02 2.556195960070e-02
|
||||
3*0.0 -6.592549231734e-02 3.128192005660e-02 6.443544100931e-02 -1.143873529344e-02 -8.594763744592e-02 5.519479160179e-02 -3.099557742432e-02 3*0.0 1.427369288824e-01 -5.138146396919e-02 -7.765628153001e-02 1.185194025853e-02 1.258870368557e-01 -5.450849791944e-02 2.483891493325e-02
|
||||
3*0.0 -6.534844534199e-02 3.069286472733e-02 6.319958337811e-02 -1.113342631628e-02 -8.470239217952e-02 5.396748150059e-02 -3.018688585764e-02 3*0.0 1.407324485804e-01 -5.017955259596e-02 -7.589885088488e-02 1.149312665290e-02 1.236088017366e-01 -5.313355070176e-02 2.413397275358e-02
|
||||
3*0.0 -6.476839304329e-02 3.011266135192e-02 6.198150576288e-02 -1.083554782421e-02 -8.346726139725e-02 5.276291218298e-02 -2.939696253277e-02 3*0.0 1.387354640060e-01 -4.900130768519e-02 -7.417185763078e-02 1.114423167713e-02 1.213581307223e-01 -5.178773735967e-02 2.344676099121e-02
|
||||
3*0.0 -6.418551442149e-02 2.954122219183e-02 6.078110102675e-02 -1.054493853088e-02 -8.224233599160e-02 5.158078489424e-02 -2.862544280570e-02 3*0.0 1.367465861895e-01 -4.784638982098e-02 -7.247506972852e-02 1.080501405405e-02 1.191350590989e-01 -5.047061904599e-02 2.277691252354e-02
|
||||
3*0.0 -6.359998851563e-02 2.897845969436e-02 5.959825880441e-02 -1.026144017689e-02 -8.102770257823e-02 5.042080157294e-02 -2.787196703728e-02 3*0.0 1.347664053535e-01 -4.671446085697e-02 -7.080824635808e-02 1.047523731281e-02 1.169396097710e-01 -4.918175782641e-02 2.212406520474e-02
|
||||
3*0.0 -6.301199422416e-02 2.842428649075e-02 5.843286561483e-02 -9.984897482323e-03 -7.982344350773e-02 4.928266495012e-02 -2.713618058838e-02 3*0.0 1.327954911625e-01 -4.560518403379e-02 -6.917113839722e-02 1.015466972716e-02 1.147717935824e-01 -4.792071690275e-02 2.148786189013e-02
|
||||
3*0.0 -6.242171012718e-02 2.787861539541e-02 5.728480497087e-02 -9.715158099869e-03 -7.862963687796e-02 4.816607864456e-02 -2.641773381198e-02 3*0.0 1.308343929788e-01 -4.451822409192e-02 -6.756348888809e-02 9.843084253338e-03 1.126316096340e-01 -4.668706082733e-02 2.086795045619e-02
|
||||
3*0.0 -6.182931431114e-02 2.734135940605e-02 5.615395748627e-02 -9.452072568691e-03 -7.744635654791e-02 4.707074725375e-02 -2.571628204230e-02 3*0.0 1.288836401234e-01 -4.345324738019e-02 -6.598503349190e-02 9.540258467563e-03 1.105190456002e-01 -4.548035570854e-02 2.026398381643e-02
|
||||
3*0.0 -6.123498419710e-02 2.681243170479e-02 5.504020098038e-02 -9.195494268807e-03 -7.627367215316e-02 4.599637644136e-02 -2.503148558114e-02 3*0.0 1.269437421449e-01 -4.240992195987e-02 -6.443550093162e-02 9.245974503307e-03 1.084340780437e-01 -4.430016940790e-02 1.967561993315e-02
|
||||
3*0.0 -6.063889637379e-02 2.629174566014e-02 5.394341058101e-02 -8.945279376216e-03 -7.511164912372e-02 4.494267302122e-02 -2.436300968179e-02 3*0.0 1.250151890912e-01 -4.138791770442e-02 -6.291461342295e-02 8.960018988283e-03 1.063766727270e-01 -4.314607172864e-02 1.910252182543e-02
|
||||
3*0.0 -6.004122643587e-02 2.577921482988e-02 5.286345882586e-02 -8.701286818540e-03 -7.396034870417e-02 4.390934503796e-02 -2.371052453054e-02 3*0.0 1.230984517881e-01 -4.038690639518e-02 -6.142208709363e-02 8.682182981267e-03 1.043467849226e-01 -4.201763459611e-02 1.854435757330e-02
|
||||
3*0.0 -5.944214882851e-02 2.527475296467e-02 5.180021576261e-02 -8.463378231323e-03 -7.281982797684e-02 4.289610184491e-02 -2.307370522613e-02 3*0.0 1.211939821212e-01 -3.940656181278e-02 -5.995763239110e-02 8.412261908783e-03 1.023443597201e-01 -4.091443223005e-02 1.800080031837e-02
|
||||
3*0.0 -5.884183669893e-02 2.477827401248e-02 5.075354904830e-02 -8.231417914882e-03 -7.169013988782e-02 4.190265417899e-02 -2.245223175723e-02 3*0.0 1.193022133230e-01 -3.844655982462e-02 -5.852095447890e-02 8.150055501697e-03 1.003693323307e-01 -3.983604130913e-02 1.747152826097e-02
|
||||
3*0.0 -5.824046175530e-02 2.428969212363e-02 4.972332404799e-02 -8.005272791747e-03 -7.057133327612e-02 4.092871423307e-02 -2.184578897812e-02 3*0.0 1.174235602628e-01 -3.750657846834e-02 -5.711175362156e-02 7.895367731779e-03 9.842162838915e-02 -3.878204112760e-02 1.695622465410e-02
|
||||
3*0.0 -5.763819413363e-02 2.380892165641e-02 4.870940393297e-02 -7.784812364736e-03 -6.946345290643e-02 3.997399572602e-02 -2.125406658283e-02 3*0.0 1.155584197411e-01 -3.658629803147e-02 -5.572972555851e-02 7.648006748270e-03 9.650116425246e-02 -3.775201374461e-02 1.645457779409e-02
|
||||
3*0.0 -5.703520227281e-02 2.333587718342e-02 4.771164977884e-02 -7.569908675473e-03 -6.836653950454e-02 3.903821397023e-02 -2.067675907772e-02 3*0.0 1.137071707864e-01 -3.568540112719e-02 -5.437456186679e-02 7.407784814487e-03 9.460784729605e-02 -3.674554412601e-02 1.596628100832e-02
|
||||
3*0.0 -5.643165279814e-02 2.287047349831e-02 4.672992066329e-02 -7.360436263563e-03 -6.728062979674e-02 3.812108593710e-02 -2.011356575274e-02 3*0.0 1.118701749554e-01 -3.480357276653e-02 -5.304595031302e-02 7.174518244525e-03 9.274157620639e-02 -3.576222027911e-02 1.549103264000e-02
|
||||
3*0.0 -5.582771041327e-02 2.241262562298e-02 4.576407376388e-02 -7.156272126207e-03 -6.620575655204e-02 3.722233032022e-02 -1.956419065141e-02 3*0.0 1.100477766354e-01 -3.394050042679e-02 -5.174357519451e-02 6.948027340083e-03 9.090224127058e-02 -3.480163338036e-02 1.502853603023e-02
|
||||
3*0.0 -5.522353780074e-02 2.196224881524e-02 4.481396445577e-02 -6.957295678456e-03 -6.514194862755e-02 3.634166759674e-02 -1.902834253968e-02 3*0.0 1.082403033490e-01 -3.309587411650e-02 -5.046711766980e-02 6.728136327452e-03 8.908972466256e-02 -3.386337789620e-02 1.457849949739e-02
|
||||
3*0.0 -5.461929553081e-02 2.151925857679e-02 4.387944640932e-02 -6.763388713894e-03 -6.408923101703e-02 3.547882008658e-02 -1.850573487369e-02 3*0.0 1.064480660604e-01 -3.226938643688e-02 -4.921625607886e-02 6.514673294703e-03 8.730390072595e-02 -3.294705169734e-02 1.414063631397e-02
|
||||
3*0.0 -5.401514197849e-02 2.108357066154e-02 4.296037168755e-02 -6.574435365830e-03 -6.304762490199e-02 3.463351200953e-02 -1.799608576648e-02 3*0.0 1.046713594843e-01 -3.146073263993e-02 -4.799066625284e-02 6.307470129110e-03 8.554463625331e-02 -3.205225616644e-02 1.371466468112e-02
|
||||
3*0.0 -5.341123324853e-02 2.065510108411e-02 4.205659084343e-02 -6.390322069094e-03 -6.201714770582e-02 3.380546954074e-02 -1.749911795383e-02 3*0.0 1.029104623947e-01 -3.066961068319e-02 -4.679002181386e-02 6.106362454833e-03 8.381179076188e-02 -3.117859629956e-02 1.330030770080e-02
|
||||
3*0.0 -5.280772310781e-02 2.023376612868e-02 4.116795301673e-02 -6.210937522208e-03 -6.099781315005e-02 3.299442086388e-02 -1.701455875910e-02 3*0.0 1.011656379359e-01 -2.989572128131e-02 -4.561399446472e-02 5.911189570899e-03 8.210521676559e-02 -3.032568080143e-02 1.289729334586e-02
|
||||
3*0.0 -5.220476292513e-02 1.981948235791e-02 4.029430603048e-02 -6.036172650112e-03 -5.998963131310e-02 3.220009622254e-02 -1.654214005724e-02 3*0.0 9.943713393378e-02 -2.913876795440e-02 -4.446225426888e-02 5.721794389509e-03 8.042476004338e-02 -2.949312217471e-02 1.250535442796e-02
|
||||
3*0.0 -5.160250161745e-02 1.941216662212e-02 3.943549648669e-02 -5.865920567298e-03 -5.899260869077e-02 3.142222796959e-02 -1.608159823796e-02 3*0.0 9.772518320767e-02 -2.839845707335e-02 -4.333446992078e-02 5.538023374697e-03 7.877025990364e-02 -2.868053680351e-02 1.212422856368e-02
|
||||
3*0.0 -5.100108560272e-02 1.901173606849e-02 3.859136986139e-02 -5.700076541539e-03 -5.800674825911e-02 3.066055061454e-02 -1.563267416808e-02 3*0.0 9.603000388247e-02 -2.767449790219e-02 -4.223030900674e-02 5.359726481361e-03 7.714154944489e-02 -2.788754503117e-02 1.175365813865e-02
|
||||
3*0.0 -5.040065875832e-02 1.861810815043e-02 3.776177059858e-02 -5.538537957943e-03 -5.703204953848e-02 2.991480086884e-02 -1.519511315310e-02 3*0.0 9.435179970091e-02 -2.696660263743e-02 -4.114943825652e-02 5.186757094706e-03 7.553845581241e-02 -2.711377123259e-02 1.139339027006e-02
|
||||
3*0.0 -4.980136238489e-02 1.823120063704e-02 3.694654220319e-02 -5.381204283555e-03 -5.606850865923e-02 2.918471768924e-02 -1.476866489800e-02 3*0.0 9.269076033549e-02 -2.627448644463e-02 -4.009152378579e-02 5.018971970104e-03 7.396080045099e-02 -2.635884388125e-02 1.104317676741e-02
|
||||
3*0.0 -4.920333517510e-02 1.785093162251e-02 3.614552733257e-02 -5.227977032389e-03 -5.511611842866e-02 2.847004231906e-02 -1.435308346732e-02 3*0.0 9.104706170004e-02 -2.559786749219e-02 -3.905623132964e-02 4.856231173413e-03 7.240839935355e-02 -2.562239561098e-02 1.070277409186e-02
|
||||
3*0.0 -4.860671318667e-02 1.747721953578e-02 3.535856788671e-02 -5.078759730857e-03 -5.417486839914e-02 2.777051832734e-02 -1.394812724444e-02 3*0.0 8.942086626061e-02 -2.493646698242e-02 -3.804322646735e-02 4.698398021752e-03 7.088106330580e-02 -2.490406327278e-02 1.037194331401e-02
|
||||
3*0.0 -4.801162981961e-02 1.710998314995e-02 3.458550509680e-02 -4.933457883751e-03 -5.324474493711e-02 2.708589164593e-02 -1.355355889030e-02 3*0.0 8.781232334551e-02 -2.429000918001e-02 -3.705217483851e-02 4.545339024779e-03 6.937859812665e-02 -2.420348798672e-02 1.005045007039e-02
|
||||
3*0.0 -4.741821579681e-02 1.674914159202e-02 3.382617961201e-02 -4.791978940572e-03 -5.232573129296e-02 2.641591060464e-02 -1.316914530133e-02 3*0.0 8.622156945428e-02 -2.365822143790e-02 -3.608274235072e-02 4.396923826461e-03 6.790080490462e-02 -2.352031518919e-02 9.738064518648e-03
|
||||
3*0.0 -4.682659914788e-02 1.639461435230e-02 3.308043158452e-02 -4.654232262318e-03 -5.141780767140e-02 2.576032596412e-02 -1.279465756678e-02 3*0.0 8.464872856538e-02 -2.304083422074e-02 -3.513459537909e-02 4.253025147384e-03 6.644748022995e-02 -2.285419467546e-02 9.434561291569e-03
|
||||
3*0.0 -4.623690519578e-02 1.604632129413e-02 3.234810075263e-02 -4.520129088709e-03 -5.052095130253e-02 2.511889094677e-02 -1.242987092538e-02 3*0.0 8.309391244250e-02 -2.243758112589e-02 -3.420740095763e-02 4.113518727590e-03 6.501841642254e-02 -2.220478063795e-02 9.139719450012e-03
|
||||
3*0.0 -4.564925654597e-02 1.570418266335e-02 3.162902652172e-02 -4.389582505845e-03 -4.963513651324e-02 2.449136126555e-02 -1.207456472151e-02 3*0.0 8.155722093914e-02 -2.184819890210e-02 -3.330082696270e-02 3.978283269976e-03 6.361340175570e-02 -2.157173170014e-02 8.853322434794e-03
|
||||
3*0.0 -4.506377307779e-02 1.536811909783e-02 3.092304804332e-02 -4.262507414276e-03 -4.876033479882e-02 2.387749515078e-02 -1.172852236066e-02 3*0.0 8.003874230150e-02 -2.127242746591e-02 -3.241454228875e-02 3.847200384264e-03 6.223222067561e-02 -2.095471094637e-02 8.575158017658e-03
|
||||
3*0.0 -4.448057193762e-02 1.503805163708e-02 3.023000429180e-02 -4.138820497476e-03 -4.789651489494e-02 2.327705337484e-02 -1.139153126454e-02 3*0.0 7.853855346933e-02 -2.071000991586e-02 -3.154821701658e-02 3.720154531549e-03 6.087465401648e-02 -2.035338594762e-02 8.305018251361e-03
|
||||
3*0.0 -4.389976753401e-02 1.471390173157e-02 2.954973413914e-02 -4.018440190789e-03 -4.704364284944e-02 2.268979927495e-02 -1.106338282546e-02 3*0.0 7.705672037470e-02 -2.016069254453e-02 -3.070152257410e-02 3.597032969441e-03 5.954047921155e-02 -1.976742878345e-02 8.042699418979e-03
|
||||
3*0.0 -4.332147153417e-02 1.439559125218e-02 2.888207642727e-02 -3.901286650722e-03 -4.620168209430e-02 2.211549877396e-02 -1.074387236051e-02 3*0.0 7.559329823849e-02 -1.962422484856e-02 -2.987413188991e-02 3.477725697820e-03 5.822947049965e-02 -1.919651606022e-02 7.788001982487e-03
|
||||
3*0.0 -4.274579286190e-02 1.408304249952e-02 2.822687003833e-02 -3.787281724702e-03 -4.537059351740e-02 2.155392039915e-02 -1.043279906510e-02 3*0.0 7.414833186448e-02 -1.910035953665e-02 -2.906571953992e-02 3.362125405195e-03 5.694139912762e-02 -1.864032892571e-02 7.540730530678e-03
|
||||
3*0.0 -4.217283769671e-02 1.377617821327e-02 2.758395396266e-02 -3.676348921140e-03 -4.455033553397e-02 2.100483529908e-02 -1.012996596621e-02 3*0.0 7.272185593084e-02 -1.858885253556e-02 -2.827596188696e-02 3.250127415699e-03 5.567603354832e-02 -1.809855308022e-02 7.300693726507e-03
|
||||
3*0.0 -4.160270947421e-02 1.347492158110e-02 2.695316736465e-02 -3.568413380077e-03 -4.374086415794e-02 2.046801725881e-02 -9.835179875311e-03 3*0.0 7.131389527904e-02 -1.808946299433e-02 -2.750453721380e-02 3.141629636711e-03 5.443313961444e-02 -1.757087878444e-02 7.067704253896e-03
|
||||
3*0.0 -4.103550888739e-02 1.317919624800e-02 2.633434964632e-02 -3.463401844007e-03 -4.294213307272e-02 1.994324271303e-02 -9.548251340918e-03 3*0.0 6.992446519984e-02 -1.760195328661e-02 -2.675112584960e-02 3.036532507119e-03 5.321248076795e-02 -1.705700086403e-02 6.841578764083e-03
|
||||
3*0.0 -4.047133388908e-02 1.288892632495e-02 2.572734050880e-02 -3.361242629296e-03 -4.215409370163e-02 1.943029075762e-02 -9.268994600913e-03 3*0.0 6.855357171649e-02 -1.712608901126e-02 -2.601541028994e-02 2.934738946231e-03 5.201381822534e-02 -1.655661871112e-02 6.622137821565e-03
|
||||
3*0.0 -3.991027969522e-02 1.260403639787e-02 2.513198001173e-02 -3.261865597836e-03 -4.137669527772e-02 1.892894315935e-02 -8.997227534618e-03 3*0.0 6.720121186477e-02 -1.666163899128e-02 -2.529707531073e-02 2.836154303345e-03 5.083691115856e-02 -1.606943628283e-02 6.409205849690e-03
|
||||
3*0.0 -3.935243878922e-02 1.232445153618e-02 2.454810863050e-02 -3.165202129173e-03 -4.060988491295e-02 1.843898436400e-02 -8.732771614676e-03 3*0.0 6.586737397001e-02 -1.620837527105e-02 -2.459580807599e-02 2.740686307969e-03 4.968151687167e-02 -1.559516209702e-02 6.202611075958e-03
|
||||
3*0.0 -3.879790092715e-02 1.205009730131e-02 2.397556731154e-02 -3.071185093007e-03 -3.985360766683e-02 1.796020150283e-02 -8.475451858801e-03 3*0.0 6.455203792084e-02 -1.576607311204e-02 -2.391129823983e-02 2.648245020710e-03 4.854739097338e-02 -1.513350922518e-02 6.002185477072e-03
|
||||
3*0.0 -3.824675314392e-02 1.178089975495e-02 2.341419752558e-02 -2.979748822036e-03 -3.910780661414e-02 1.749238439741e-02 -8.225096781382e-03 3*0.0 6.325517543962e-02 -1.533451098697e-02 -2.324323804265e-02 2.558742784833e-03 4.743428754519e-02 -1.468419528275e-02 5.807764723813e-03
|
||||
3*0.0 -3.769907976037e-02 1.151678546724e-02 2.286384131901e-02 -2.890829085190e-03 -3.837242291205e-02 1.703532556311e-02 -7.981538345022e-03 3*0.0 6.197675034944e-02 -1.491347057255e-02 -2.259132240181e-02 2.472094178483e-03 4.634195930552e-02 -1.424694241698e-02 5.619188125758e-03
|
||||
3*0.0 -3.715496239139e-02 1.125768152458e-02 2.232434136332e-02 -2.804363061287e-03 -3.764739586638e-02 1.658882021095e-02 -7.744611912048e-03 3*0.0 6.071671883768e-02 -1.450273674073e-02 -2.195524899683e-02 2.388215967589e-03 4.527015776951e-02 -1.382147729227e-02 5.436298575904e-03
|
||||
3*0.0 -3.661447995497e-02 1.100351553743e-02 2.179554100279e-02 -2.720289312988e-03 -3.693266299683e-02 1.615266624815e-02 -7.514156195989e-03 3*0.0 5.947502971603e-02 -1.410209754870e-02 -2.133471834946e-02 2.307027059437e-03 4.421863340481e-02 -1.340753107330e-02 5.258942495247e-03
|
||||
3*0.0 -3.607770868235e-02 1.075421564771e-02 2.127728430028e-02 -2.638547761143e-03 -3.622816010164e-02 1.572666427721e-02 -7.290013213088e-03 3*0.0 5.825162467678e-02 -1.371134422749e-02 -2.072943389851e-02 2.228448456927e-03 4.318713578314e-02 -1.300483940590e-02 5.086969777343e-03
|
||||
3*0.0 -3.554472212909e-02 1.050971053610e-02 2.076941608142e-02 -2.559079659534e-03 -3.553382132098e-02 1.531061759385e-02 -7.072028233872e-03 3*0.0 5.704643854553e-02 -1.333027116936e-02 -2.013910206978e-02 2.152403213500e-03 4.217541372783e-02 -1.261314239586e-02 4.920233732904e-03
|
||||
3*0.0 -3.501559118734e-02 1.026992942905e-02 2.027178197706e-02 -2.481827569888e-03 -3.484957919955e-02 1.490433218359e-02 -6.860049734809e-03 3*0.0 5.585939953012e-02 -1.295867591403e-02 -1.956343234126e-02 2.078816388748e-03 4.118321545727e-02 -1.223218458573e-02 4.758591034463e-03
|
||||
3*0.0 -3.449038409920e-02 1.003480210551e-02 1.978422846404e-02 -2.406735337374e-03 -3.417536474846e-02 1.450761671707e-02 -6.653929350072e-03 3*0.0 5.469042946569e-02 -1.259635913369e-02 -1.900213730354e-02 2.007615004707e-03 4.021028872438e-02 -1.186171492965e-02 4.601901661149e-03
|
||||
3*0.0 -3.396916647112e-02 9.804258903549e-03 1.930660290448e-02 -2.333748066346e-03 -3.351110750584e-02 1.412028254435e-02 -6.453521823461e-03 3*0.0 5.353944405599e-02 -1.224312461692e-02 -1.845493271576e-02 1.938728002816e-03 3.925638095204e-02 -1.150148676647e-02 4.450028843596e-03
|
||||
3*0.0 -3.345200128955e-02 9.578230726512e-03 1.883875358342e-02 -2.262812096476e-03 -3.285673559665e-02 1.374214368801e-02 -6.258684960472e-03 3*0.0 5.240635311074e-02 -1.189877925164e-02 -1.792153755727e-02 1.872086201569e-03 3.832123936465e-02 -1.115125779109e-02 4.302839009040e-03
|
||||
3*0.0 -3.293894893771e-02 9.356649049139e-03 1.838052974500e-02 -2.193874979239e-03 -3.221217579157e-02 1.337301683524e-02 -6.069279580577e-03 3*0.0 5.129106077907e-02 -1.156313300693e-02 -1.740167407487e-02 1.807622254823e-03 3.740461111566e-02 -1.081079002410e-02 4.160201726620e-03
|
||||
3*0.0 -3.243006721354e-02 9.139445923279e-03 1.793178162718e-02 -2.126885454726e-03 -3.157735356490e-02 1.301272132883e-02 -5.885169469701e-03 3*0.0 5.019346577896e-02 -1.123599891398e-02 -1.689506782615e-02 1.745270610800e-03 3.650624341139e-02 -1.047984978003e-02 4.021989652912e-03
|
||||
3*0.0 -3.192541134890e-02 8.926553983387e-03 1.749236049490e-02 -2.061793428830e-03 -3.095219315156e-02 1.266107915730e-02 -5.706221332958e-03 3*0.0 4.911346162274e-02 -1.091719304607e-02 -1.640144771871e-02 1.684967471747e-03 3.562588363088e-02 -1.015820763396e-02 3.888078477744e-03
|
||||
3*0.0 -3.142503402978e-02 8.717906451815e-03 1.706211867204e-02 -1.998549950682e-03 -3.033661760322e-02 1.231791494399e-02 -5.532304747598e-03 3*0.0 4.805093683855e-02 -1.060653449773e-02 -1.592054604562e-02 1.626650754267e-03 3.476327944208e-02 -9.845638386867e-03 3.758346870296e-03
|
||||
3*0.0 -3.092898541799e-02 8.513437143734e-03 1.664090957179e-02 -1.937107190565e-03 -2.973054884349e-02 1.198305593531e-02 -5.363292116279e-03 3*0.0 4.700577518768e-02 -1.030384536300e-02 -1.545209851718e-02 1.570260050320e-03 3.391817891419e-02 -9.541921029594e-03 3.632676425531e-03
|
||||
3*0.0 -3.043731317377e-02 8.313080471893e-03 1.622858772575e-02 -1.877418418033e-03 -2.913390772227e-02 1.165633198811e-02 -5.199058620590e-03 3*0.0 4.597785587798e-02 -1.000895071299e-02 -1.499584428909e-02 1.515736588885e-03 3.309033062645e-02 -9.246838705629e-03 3.510951610967e-03
|
||||
3*0.0 -2.995006247962e-02 8.116771451085e-03 1.582500881174e-02 -1.819437980412e-03 -2.854661406920e-02 1.133757555627e-02 -5.039482174897e-03 3*0.0 4.496705377307e-02 -9.721678572596e-03 -1.455152598713e-02 1.463023198275e-03 3.227948377312e-02 -8.960178672712e-03 3.393059713824e-03
|
||||
3*0.0 -2.946727606535e-02 7.924445702304e-03 1.543002968021e-02 -1.763121281615e-03 -2.796858674627e-02 1.102662167638e-02 -4.884443380493e-03 3*0.0 4.397323959755e-02 -9.441859896572e-03 -1.411888972856e-02 1.412064269119e-03 3.148538826504e-02 -8.681732263361e-03 3.278890788560e-03
|
||||
3*0.0 -2.898899423420e-02 7.736039456777e-03 1.504350837938e-02 -1.708424761305e-03 -2.739974369968e-02 1.072330795289e-02 -4.733825480118e-03 3*0.0 4.299628013804e-02 -9.169328544929e-03 -1.369768514033e-02 1.362805717981e-03 3.070779482751e-02 -8.411294844387e-03 3.168337604830e-03
|
||||
3*0.0 -2.851525488994e-02 7.551489559581e-03 1.466530417918e-02 -1.655305874329e-03 -2.684000201074e-02 1.042747454228e-02 -4.587514312766e-03 3*0.0 4.203603844019e-02 -8.903921257673e-03 -1.328766537410e-02 1.315194951639e-03 2.994645509479e-02 -8.148665775465e-03 3.061295595864e-03
|
||||
3*0.0 -2.804609356516e-02 7.370733473111e-03 1.429527759384e-02 -1.603723070516e-03 -2.628927794609e-02 1.013896413673e-02 -4.445398268898e-03 3*0.0 4.109237400155e-02 -8.645477628973e-03 -1.288858711839e-02 1.269180831991e-03 2.920112170102e-02 -7.893648366823e-03 2.957662807310e-03
|
||||
3*0.0 -2.758154345048e-02 7.193709280264e-03 1.393329040332e-02 -1.553635774765e-03 -2.574748700702e-02 9.857621947027e-03 -4.307368246007e-03 3*0.0 4.016514296036e-02 -8.393840080757e-03 -1.250021060781e-02 1.224713641611e-03 2.847154836793e-02 -7.646049836129e-03 2.857339846539e-03
|
||||
3*0.0 -2.712163542469e-02 7.020355687375e-03 1.357920567348e-02 -1.505004367429e-03 -2.521454397810e-02 9.583295684862e-03 -4.173317604563e-03 3*0.0 3.925419828029e-02 -8.148853835792e-03 -1.212229962952e-02 1.181745049925e-03 2.775748998906e-02 -7.405681264607e-03 2.760229832438e-03
|
||||
3*0.0 -2.666639808588e-02 6.850612026882e-03 1.323288777503e-02 -1.457790165078e-03 -2.469036297495e-02 9.315835544640e-03 -4.043142124349e-03 3*0.0 3.835938993097e-02 -7.910366890269e-03 -1.175462152712e-02 1.140228080024e-03 2.705870271077e-02 -7.172357552479e-03 2.666238345707e-03
|
||||
3*0.0 -2.621585778335e-02 6.684418259841e-03 1.289420240137e-02 -1.411955401429e-03 -2.417485749112e-02 9.055094184346e-03 -3.916739961161e-03 3*0.0 3.748056506466e-02 -7.678229985930e-03 -1.139694720190e-02 1.100117076086e-03 2.637494401000e-02 -6.945897373769e-03 2.575273379660e-03
|
||||
3*0.0 -2.577003865036e-02 6.521714978003e-03 1.256301658521e-02 -1.367463208766e-03 -2.366794044453e-02 8.800926706423e-03 -3.794011603991e-03 3*0.0 3.661756818868e-02 -7.452296581780e-03 -1.104905111170e-02 1.061367671420e-03 2.570597276891e-02 -6.726123130519e-03 2.487245291565e-03
|
||||
3*0.0 -2.532896263760e-02 6.362443405889e-03 1.223919871407e-02 -1.324277599473e-03 -2.316952422267e-02 8.553190637601e-03 -3.674859832535e-03 3*0.0 3.577024133391e-02 -7.232422825391e-03 -1.071071126748e-02 1.023936757116e-03 2.505154934629e-02 -6.512860906502e-03 2.402066754518e-03
|
||||
3*0.0 -2.489264954740e-02 6.206545402415e-03 1.192261854458e-02 -1.282363448011e-03 -2.267952072745e-02 8.311745908585e-03 -3.559189675196e-03 3*0.0 3.493842421925e-02 -7.018467523854e-03 -1.038170922756e-02 9.877824512954e-04 2.441143564603e-02 -6.305940420447e-03 2.319652709867e-03
|
||||
3*0.0 -2.446111706850e-02 6.053963462411e-03 1.161314721579e-02 -1.241686473072e-03 -2.219784141884e-02 8.076454832947e-03 -3.446908367443e-03 3*0.0 3.412195441207e-02 -6.810292114395e-03 -1.006183008975e-02 9.528640689617e-04 2.378539518252e-02 -6.105194978857e-03 2.239920320199e-03
|
||||
3*0.0 -2.403438081150e-02 5.904640717888e-03 1.131065726129e-02 -1.202213220122e-03 -2.172439735803e-02 7.847182085890e-03 -3.337925310681e-03 3*0.0 3.332066748476e-02 -6.607760634682e-03 -9.750862481485e-03 9.191420924356e-04 2.317319314306e-02 -5.910461428448e-03 2.162788922898e-03
|
||||
3*0.0 -2.361245434472e-02 5.758520939021e-03 1.101502262027e-02 -1.163911044156e-03 -2.125909924962e-02 7.623794682389e-03 -3.232152031498e-03 3*0.0 3.253439716723e-02 -6.410739692858e-03 -9.448598547922e-03 8.865781423770e-04 2.257459644748e-02 -5.721580108275e-03 2.088179984276e-03
|
||||
3*0.0 -2.319534923060e-02 5.615548534895e-03 1.072611864758e-02 -1.126748092788e-03 -2.080185748305e-02 7.406161954941e-03 -3.129502141403e-03 3*0.0 3.176297549562e-02 -6.219098437326e-03 -9.154833938213e-03 8.551349493804e-04 2.198937380483e-02 -5.538394801574e-03 2.016017054294e-03
|
||||
3*0.0 -2.278307506251e-02 5.475668554141e-03 1.044382212272e-02 -1.090693289609e-03 -2.035258217315e-02 7.194155530975e-03 -3.029891296985e-03 3*0.0 3.100623295704e-02 -6.032708526304e-03 -8.869367789985e-03 8.247763261418e-04 2.141729576735e-02 -5.360752687370e-03 1.946225721881e-03
|
||||
3*0.0 -2.237563950186e-02 5.338826685258e-03 1.016801125779e-02 -1.055716317780e-03 -1.991118319991e-02 6.987649309905e-03 -2.933237160537e-03 3*0.0 3.026399863050e-02 -5.851444097188e-03 -8.592002712124e-03 7.954671401867e-04 2.085813478163e-02 -5.188504291901e-03 1.878733570838e-03
|
||||
3*0.0 -2.197304831559e-02 5.204969256675e-03 9.898565704518e-03 -1.021787604003e-03 -1.947757024739e-02 6.786519439823e-03 -2.839459361166e-03 3*0.0 2.953610032407e-02 -5.675181735735e-03 -8.322544765940e-03 7.671732871542e-04 2.031166523723e-02 -5.021503439885e-03 1.813470136362e-03
|
||||
3*0.0 -2.157530541384e-02 5.074043236690e-03 9.635366560314e-03 -9.888783026466e-04 -1.905165284178e-02 6.590644293842e-03 -2.748479456324e-03 3*0.0 2.882236470816e-02 -5.503800445101e-03 -8.060803444803e-03 7.398616646296e-04 1.977766351257e-02 -4.859607205681e-03 1.750366862165e-03
|
||||
3*0.0 -2.118241288786e-02 4.945996233172e-03 9.378296373321e-03 -9.569602802421e-04 -1.863334038861e-02 6.399904446278e-03 -2.660220893863e-03 3*0.0 2.812261744517e-02 -5.337181614746e-03 -7.806591652312e-03 7.135001465184e-04 1.925590801832e-02 -4.702675864374e-03 1.689357058218e-03
|
||||
3*0.0 -2.079437104811e-02 4.820776493019e-03 9.127239146628e-03 -9.260061001816e-04 -1.822254220900e-02 6.214182648415e-03 -2.574608974515e-03 3*0.0 2.743668331539e-02 -5.175208989238e-03 -7.559725679095e-03 6.880575579540e-04 1.874617923829e-02 -4.550572842823e-03 1.630375859100e-03
|
||||
3*0.0 -2.041117846239e-02 4.698332901453e-03 8.882080341555e-03 -8.959890077110e-04 -1.781916757526e-02 6.033363804094e-03 -2.491570814882e-03 3*0.0 2.676438633924e-02 -5.017768636973e-03 -7.320025178290e-03 6.635036507331e-04 1.824825976787e-02 -4.403164670710e-03 1.573360182974e-03
|
||||
3*0.0 -2.003283199411e-02 4.578614981073e-03 8.642706880067e-03 -8.668829151986e-04 -1.742312574532e-02 5.857334945105e-03 -2.411035310901e-03 3*0.0 2.610554989595e-02 -4.864748918826e-03 -7.087313139796e-03 6.398090792698e-04 1.776193435008e-02 -4.260320931613e-03 1.518248691179e-03
|
||||
3*0.0 -1.965932684053e-02 4.461572890815e-03 8.409007146380e-03 -8.386623875849e-04 -1.703432599647e-02 5.685985206287e-03 -2.332933101767e-03 3*0.0 2.545999683854e-02 -4.716040456772e-03 -6.861415863359e-03 6.169453770635e-04 1.728698990929e-02 -4.121914214152e-03 1.464981748448e-03
|
||||
3*0.0 -1.929065657111e-02 4.347157424535e-03 8.180870987739e-03 -8.113026282257e-04 -1.665267765837e-02 5.519205800500e-03 -2.257196534394e-03 3*0.0 2.482754960548e-02 -4.571536102465e-03 -6.642162930552e-03 5.948849336701e-04 1.682321558269e-02 -3.987820063218e-03 1.413501383745e-03
|
||||
3*0.0 -1.892665227457e-02 4.235321587743e-03 7.958164783427e-03 -7.847792503818e-04 -1.627799678148e-02 5.356876049130e-03 -2.183755512195e-03 3*0.0 2.420803032865e-02 -4.431130905832e-03 -6.429387175728e-03 5.736009721718e-04 1.637040274947e-02 -3.857916931329e-03 1.363751251728e-03
|
||||
3*0.0 -1.856764526047e-02 4.126014390839e-03 7.740833215896e-03 -7.590691448486e-04 -1.591038840395e-02 5.198920132215e-03 -2.112554182178e-03 3*0.0 2.360126093802e-02 -4.294722083662e-03 -6.222924656004e-03 5.530675271372e-04 1.592834505797e-02 -3.732086130141e-03 1.315676594835e-03
|
||||
3*0.0 -1.821344384711e-02 4.019189977311e-03 7.528743485535e-03 -7.341491085247e-04 -1.554965982417e-02 5.045220382677e-03 -2.043525427836e-03 3*0.0 2.300706326291e-02 -4.162208988237e-03 -6.022614620327e-03 5.332594230642e-04 1.549683845056e-02 -3.610211782126e-03 1.269224205997e-03
|
||||
3*0.0 -1.786403543684e-02 3.914801665926e-03 7.321791282831e-03 -7.099967610045e-04 -1.519572087433e-02 4.895676070931e-03 -1.976608080838e-03 3*0.0 2.242525912983e-02 -4.033493076002e-03 -5.828299477708e-03 5.141522532974e-04 1.507568118658e-02 -3.492180772459e-03 1.224342391965e-03
|
||||
3*0.0 -1.751940599996e-02 3.812803401179e-03 7.119873754386e-03 -6.865902928332e-04 -1.484848159236e-02 4.750188418479e-03 -1.911742510145e-03 3*0.0 2.185567045716e-02 -3.908477876308e-03 -5.639824764648e-03 4.957223594152e-04 1.466467386321e-02 -3.377882701132e-03 1.180980937265e-03
|
||||
3*0.0 -1.717954011203e-02 3.713149750924e-03 6.922889499350e-03 -6.639084527711e-04 -1.450785224930e-02 4.608660572206e-03 -1.848870589395e-03 3*0.0 2.129811934651e-02 -3.787068960217e-03 -5.457039111844e-03 4.779468110759e-04 1.426361943447e-02 -3.267209835317e-03 1.139091068768e-03
|
||||
3*0.0 -1.684442099095e-02 3.615795903896e-03 6.730738565212e-03 -6.419305352424e-04 -1.417374337574e-02 4.470997578651e-03 -1.787935664774e-03 3*0.0 2.075242817090e-02 -3.669173909416e-03 -5.279794210207e-03 4.608033863185e-04 1.387232322825e-02 -3.160057061996e-03 1.098625420879e-03
|
||||
3*0.0 -1.651403053387e-02 3.520697667044e-03 6.543322443041e-03 -6.206363681098e-04 -1.384606578769e-02 4.337106358166e-03 -1.728882523390e-03 3*0.0 2.021841965984e-02 -3.554702285228e-03 -5.107944776252e-03 4.442705523082e-04 1.349059296151e-02 -3.056321840892e-03 1.059538001335e-03
|
||||
3*0.0 -1.618834935382e-02 3.427811462729e-03 6.360544062147e-03 -6.000063005809e-04 -1.352473061128e-02 4.206895679193e-03 -1.671657362122e-03 3*0.0 1.969591698129e-02 -3.443565597744e-03 -4.941348516916e-03 4.283274465211e-04 1.311823875374e-02 -2.955904157702e-03 1.021784157624e-03
|
||||
3*0.0 -1.586735681611e-02 3.337094325803e-03 6.182307784198e-03 -5.800211913822e-04 -1.320964930701e-02 4.080276132386e-03 -1.616207756988e-03 3*0.0 1.918474382060e-02 -3.335677275095e-03 -4.779866093845e-03 4.129538583602e-04 1.275507313861e-02 -2.858706477670e-03 9.853205440008e-04
|
||||
3*0.0 -1.555103107449e-02 3.248503900564e-03 6.008519396843e-03 -5.606623971848e-04 -1.290073369288e-02 3.957160104961e-03 -1.562482632992e-03 3*0.0 1.868472445645e-02 -3.230952632860e-03 -4.623361087201e-03 3.981302111950e-04 1.240091107399e-02 -2.764633699504e-03 9.501050891121e-04
|
||||
3*0.0 -1.523934910701e-02 3.161998437556e-03 5.839086106841e-03 -5.419117612073e-04 -1.259789596700e-02 3.837461754944e-03 -1.510432234467e-03 3*0.0 1.819568383396e-02 -3.129308843640e-03 -4.471699959033e-03 3.838375448178e-04 1.205556995031e-02 -2.673593109658e-03 9.160969642233e-04
|
||||
3*0.0 -1.493228675167e-02 3.077536790260e-03 5.673916532741e-03 -5.237516020772e-04 -1.230104872932e-02 3.721096985474e-03 -1.460008095910e-03 3*0.0 1.771744763474e-02 -3.030664906794e-03 -4.324752016259e-03 3.700574983101e-04 1.171886959733e-02 -2.585494336996e-03 8.832565520388e-04
|
||||
3*0.0 -1.462981874167e-02 2.995078411712e-03 5.512920697126e-03 -5.061647028336e-04 -1.201010500260e-02 3.607983419248e-03 -1.411163013293e-03 3*0.0 1.724984234433e-02 -2.934941618363e-03 -4.182389373302e-03 3.567722933102e-04 1.139063228936e-02 -2.500249307853e-03 8.515454161144e-04
|
||||
3*0.0 -1.433191874061e-02 2.914583350875e-03 5.356010018453e-03 -4.891343002744e-04 -1.172497825269e-02 3.498040373048e-03 -1.363851015895e-03 3*0.0 1.679269531671e-02 -2.842061541172e-03 -4.044486914412e-03 3.439647176771e-04 1.107068274901e-02 -2.417772201500e-03 8.209262708575e-04
|
||||
3*0.0 -1.403855937715e-02 2.836012249057e-03 5.203097302492e-03 -4.726440743750e-04 -1.144558240819e-02 3.391188832279e-03 -1.318027338570e-03 3*0.0 1.634583483619e-02 -2.751948975142e-03 -3.910922255726e-03 3.316181095419e-04 1.075884814948e-02 -2.337979406043e-03 7.913629521086e-04
|
||||
3*0.0 -1.374971227956e-02 2.759326336167e-03 5.054096733423e-03 -4.566781380050e-04 -1.117183187919e-02 3.287351425721e-03 -1.273648394542e-03 3*0.0 1.590909017663e-02 -2.664529927807e-03 -3.781575707098e-03 3.197163417398e-04 1.045495811549e-02 -2.260789474742e-03 7.628203883001e-04
|
||||
3*0.0 -1.346534810993e-02 2.684487426831e-03 4.908923864587e-03 -4.412210268018e-04 -1.090364157553e-02 3.186452400343e-03 -1.230671748647e-03 3*0.0 1.548229165797e-02 -2.579732085049e-03 -3.656330233736e-03 3.082438066177e-04 1.015884472279e-02 -2.186123082790e-03 7.352645721861e-04
|
||||
3*0.0 -1.318543659808e-02 2.611457916470e-03 4.767495608902e-03 -4.262576892665e-04 -1.064092692429e-02 3.088417596297e-03 -1.189056091070e-03 3*0.0 1.506527070035e-02 -2.497484782058e-03 -3.535071417677e-03 2.971854012071e-04 9.870342496438e-03 -2.113902984539e-03 7.086625331390e-04
|
||||
3*0.0 -1.290994657532e-02 2.540200777254e-03 4.629730229007e-03 -4.117734770557e-04 -1.038360388678e-02 2.993174421974e-03 -1.148761211551e-03 3*0.0 1.465785987561e-02 -2.417718974526e-03 -3.417687419143e-03 2.865265127584e-04 9.589288407785e-03 -2.044053971199e-03 6.829823100054e-04
|
||||
3*0.0 -1.263884600768e-02 2.470679553975e-03 4.495547327120e-03 -3.977541354536e-04 -1.013158897460e-02 2.900651829331e-03 -1.109747974044e-03 3*0.0 1.425989295642e-02 -2.340367210083e-03 -3.304068937802e-03 2.762530046287e-04 9.315521870242e-03 -1.976502829006e-03 6.581929245167e-04
|
||||
3*0.0 -1.237210202916e-02 2.402858359850e-03 4.364867834621e-03 -3.841857940514e-04 -9.884799265492e-03 2.810780289285e-03 -1.071978291861e-03 3*0.0 1.387120496297e-02 -2.265363599985e-03 -3.194109173973e-03 2.663512025160e-04 9.048884733892e-03 -1.911178297886e-03 6.342643552485e-04
|
||||
3*0.0 -1.210968097450e-02 2.336701872201e-03 4.237614001424e-03 -3.710549576217e-04 -9.643152418246e-03 2.723491767380e-03 -1.035415103281e-03 3*0.0 1.349163220736e-02 -2.192643791048e-03 -3.087703789794e-03 2.568078810335e-04 8.789221278963e-03 -1.848011030594e-03 6.111675121216e-04
|
||||
3*0.0 -1.185154841175e-02 2.272175328160e-03 4.113709385095e-03 -3.583484971243e-04 -9.406566687265e-03 2.638719699495e-03 -1.000022347582e-03 3*0.0 1.312101233568e-02 -2.122144937851e-03 -2.984750870393e-03 2.476102506174e-04 8.536378208222e-03 -1.786933552365e-03 5.888742114382e-04
|
||||
3*0.0 -1.159766917463e-02 2.209244520149e-03 3.993078839804e-03 -3.460536409941e-04 -9.174960936466e-03 2.556398967893e-03 -9.657649415693e-04 3*0.0 1.275918436786e-02 -2.053805675206e-03 -2.885150885083e-03 2.387459447619e-04 8.290204638318e-03 -1.727880221065e-03 5.673571514491e-04
|
||||
3*0.0 -1.134800739456e-02 2.147875791400e-03 3.875648505057e-03 -3.341579665107e-04 -8.948254652622e-03 2.476465877364e-03 -9.326087565185e-04 3*0.0 1.240598873538e-02 -1.987566090892e-03 -2.788806648606e-03 2.302030075746e-04 8.050552090129e-03 -1.670787187852e-03 5.465898884419e-04
|
||||
3*0.0 -1.110252653245e-02 2.088036031404e-03 3.761345794249e-03 -3.226493914023e-04 -8.726367958242e-03 2.398858131637e-03 -9.005205955828e-04 3*0.0 1.206126731676e-02 -1.923367698676e-03 -2.695623282462e-03 2.219698816456e-04 7.817274478137e-03 -1.615592358357e-03 5.265468133465e-04
|
||||
3*0.0 -1.086118941020e-02 2.029692671231e-03 3.650099383101e-03 -3.115161656062e-04 -8.509221623885e-03 2.323514809983e-03 -8.694681716308e-04 3*0.0 1.172486347111e-02 -1.861153411615e-03 -2.605508176323e-03 2.140353962248e-04 7.590228098889e-03 -1.562235354376e-03 5.072031288497e-04
|
||||
3*0.0 -1.062395824204e-02 1.972813678886e-03 3.541839197892e-03 -3.007468631738e-04 -8.296737079952e-03 2.250376343966e-03 -8.394200855026e-04 3*0.0 1.139662206951e-02 -1.800867515634e-03 -2.518370949590e-03 2.063887557006e-04 7.369271618562e-03 -1.510657476099e-03 4.885348270120e-04
|
||||
3*0.0 -1.039079466548e-02 1.917367554462e-03 3.436496403620e-03 -2.903303744139e-04 -8.088836428059e-03 2.179384494574e-03 -8.103458047353e-04 3*0.0 1.107638952455e-02 -1.742455643410e-03 -2.434123413078e-03 1.990195283738e-04 7.154266059684e-03 -1.460801664854e-03 4.705186673811e-04
|
||||
3*0.0 -1.016165977216e-02 1.863323325428e-03 3.334003391964e-03 -2.802558981317e-04 -7.885442451941e-03 2.110482329398e-03 -7.822156426722e-04 3*0.0 1.076401381782e-02 -1.685864748537e-03 -2.352679530878e-03 1.919176355211e-04 6.945074787050e-03 -1.412612466394e-03 4.531321555931e-04
|
||||
3*0.0 -9.936514138231e-03 1.810650541683e-03 3.234293769230e-03 -2.705129340395e-04 -7.686478627673e-03 2.043614200141e-03 -7.550007379976e-04 3*0.0 1.045934452564e-02 -1.631043080000e-03 -2.273955382398e-03 1.850733407417e-04 6.741563492849e-03 -1.366035994704e-03 4.363535224562e-04
|
||||
3*0.0 -9.715317854707e-03 1.759319270659e-03 3.137302344123e-03 -2.610912753819e-04 -7.491869133796e-03 1.978725720375e-03 -7.286730347068e-04 3*0.0 1.016223284290e-02 -1.577940156936e-03 -2.197869124614e-03 1.784772395809e-04 6.543600181066e-03 -1.321019896355e-03 4.201617035087e-04
|
||||
3*0.0 -9.498030557374e-03 1.709300092370e-03 3.042965115452e-03 -2.519810016599e-04 -7.301538860687e-03 1.915763743460e-03 -7.032052624557e-04 3*0.0 9.872531605168e-03 -1.526506743709e-03 -2.124340954536e-03 1.721202494255e-04 6.351055151172e-03 -1.277513315384e-03 4.045363190451e-04
|
||||
3*0.0 -9.284611456475e-03 1.660564094411e-03 2.951219259757e-03 -2.431724715031e-04 -7.115413419679e-03 1.854676340744e-03 -6.785709173254e-04 3*0.0 9.590095309000e-03 -1.476694825292e-03 -2.053293071921e-03 1.659935996652e-04 6.163800981142e-03 -1.235466858721e-03 3.894576546023e-04
|
||||
3*0.0 -9.075019366194e-03 1.613082866855e-03 2.862003118860e-03 -2.346563157670e-04 -6.933419151626e-03 1.795412780007e-03 -6.547442429794e-04 3*0.0 9.314780130675e-03 -1.428457582944e-03 -1.984649642234e-03 1.600888221132e-04 5.981712509840e-03 -1.194832562146e-03 3.749066418999e-04
|
||||
3*0.0 -8.869212733724e-03 1.566828497224e-03 2.775256187344e-03 -2.264234306853e-04 -6.755483135116e-03 1.737923504117e-03 -6.317002122047e-04 3*0.0 9.046443943225e-03 -1.381749370211e-03 -1.918336759882e-03 1.543977416817e-04 5.804666818796e-03 -1.155563856786e-03 3.608648402256e-04
|
||||
3*0.0 -8.667149668117e-03 1.521773565304e-03 2.690919099972e-03 -2.184649712470e-04 -6.581533194269e-03 1.682160109974e-03 -6.094145088516e-04 3*0.0 8.784946331908e-03 -1.336525689230e-03 -1.854282411737e-03 1.489124673065e-04 5.632543213413e-03 -1.117615536154e-03 3.473144182613e-04
|
||||
3*0.0 -8.468787968812e-03 1.477891138005e-03 2.608933619046e-03 -2.107723446484e-04 -6.411497906132e-03 1.628075327623e-03 -5.878635101234e-04 3*0.0 8.530148608150e-03 -1.292743167352e-03 -1.792416440942e-03 1.436253831141e-04 5.465223203624e-03 -1.080943723724e-03 3.342381363396e-04
|
||||
3*0.0 -8.274085153822e-03 1.435154764120e-03 2.529242621744e-03 -2.033372039473e-04 -6.245306607530e-03 1.575622999702e-03 -5.670242692728e-04 3*0.0 8.281913821983e-03 -1.250359534071e-03 -1.732670511046e-03 1.385291398280e-04 5.302590484049e-03 -1.045505841035e-03 3.216193291266e-04
|
||||
3*0.0 -8.082998487626e-03 1.393538469153e-03 2.451790087351e-03 -1.961514418328e-04 -6.082889401809e-03 1.524758061048e-03 -5.468744986375e-04 3*0.0 8.040106773051e-03 -1.209333598276e-03 -1.674978070446e-03 1.336166464066e-04 5.144530913657e-03 -1.011260576341e-03 3.094418887210e-04
|
||||
3*0.0 -7.895485008612e-03 1.353016750032e-03 2.376521084516e-03 -1.892071844748e-04 -5.924177164792e-03 1.475436518583e-03 -5.273925530277e-04 3*0.0 7.804594020206e-03 -1.169625225811e-03 -1.619274317174e-03 1.288810619097e-04 4.990932494986e-03 -9.781678537899e-04 2.976902481646e-04
|
||||
3*0.0 -7.711501556302e-03 1.313564569766e-03 2.303381758429e-03 -1.824967856220e-04 -5.769101550697e-03 1.427615431454e-03 -5.085574134998e-04 3*0.0 7.575243889750e-03 -1.131195317360e-03 -1.565496164012e-03 1.243157875864e-04 4.841685352926e-03 -9.461888031307e-04 2.863493653562e-04
|
||||
3*0.0 -7.531004798047e-03 1.275157352183e-03 2.232319317964e-03 -1.760128207295e-04 -5.617594997425e-03 1.381252891375e-03 -4.903486714452e-04 3*0.0 7.351926482370e-03 -1.094005786643e-03 -1.513582203982e-03 1.199144591815e-04 4.696681713113e-03 -9.152857299558e-04 2.754047073613e-04
|
||||
3*0.0 -7.353951255416e-03 1.237770976567e-03 2.163282022808e-03 -1.697480812582e-04 -5.469590731526e-03 1.336308003221e-03 -4.727465130312e-04 3*0.0 7.134513678789e-03 -1.058019538925e-03 -1.463472676174e-03 1.156709394529e-04 4.555815879947e-03 -8.854220864670e-04 2.648422351117e-04
|
||||
3*0.0 -7.180297330087e-03 1.201381772301e-03 2.096219170528e-03 -1.636955690965e-04 -5.325022772824e-03 1.292740865907e-03 -4.557317039796e-04 3*0.0 6.922879144200e-03 -1.023200449849e-03 -1.415109431966e-03 1.115793108980e-04 4.418984214266e-03 -8.565624427666e-04 2.546483884867e-04
|
||||
3*0.0 -7.009999329358e-03 1.165966513476e-03 2.031081083648e-03 -1.578484910979e-04 -5.183825938506e-03 1.250512553384e-03 -4.392855746608e-04 3*0.0 6.716898331507e-03 -9.895133445786e-04 -1.368435901606e-03 1.076338686822e-04 4.286085110699e-03 -8.286724586700e-04 2.448100717701e-04
|
||||
3*0.0 -6.843013491119e-03 1.131502413500e-03 1.967819096664e-03 -1.522002537458e-04 -5.045935846935e-03 1.209585096004e-03 -4.233900055176e-04 3*0.0 6.516448483418e-03 -9.569239772623e-04 -1.323397061190e-03 1.038291137649e-04 4.157018974722e-03 -8.017188560356e-04 2.353146394752e-04
|
||||
3*0.0 -6.679296008448e-03 1.097967119641e-03 1.906385543035e-03 -1.467444579490e-04 -4.911288921088e-03 1.169921461986e-03 -4.080274128194e-04 3*0.0 6.321408633434e-03 -9.253990108060e-04 -1.279939400027e-03 1.001597462200e-04 4.031688199448e-03 -7.756693916096e-04 2.261498825313e-04
|
||||
3*0.0 -6.518803053479e-03 1.065338707698e-03 1.846733742166e-03 -1.414748938944e-04 -4.779822391369e-03 1.131485539242e-03 -3.931807346801e-04 3*0.0 6.131659605766e-03 -8.949059969634e-04 -1.238010888401e-03 9.662065874412e-05 3.909997142156e-03 -7.504928303819e-04 2.173040148246e-04
|
||||
3*0.0 -6.361490801011e-03 1.033595676430e-03 1.788817986364e-03 -1.363855361247e-04 -4.651474298336e-03 1.094242117324e-03 -3.788334174366e-04 3*0.0 5.947084014226e-03 -8.654133567390e-04 -1.197560945739e-03 9.320693035033e-05 3.791852100613e-03 -7.261589194485e-04 2.087656600868e-04
|
||||
3*0.0 -6.207315451348e-03 1.002716942180e-03 1.732593527748e-03 -1.314705386227e-04 -4.526183494771e-03 1.058156869628e-03 -3.649694022847e-04 3*0.0 5.767566260125e-03 -8.368903611022e-04 -1.158540409187e-03 8.991382024085e-05 3.677161289171e-03 -7.026383623770e-04 2.005238391248e-04
|
||||
3*0.0 -6.056233252625e-03 9.726818334045e-04 1.678016565150e-03 -1.267242300589e-04 -4.403889647520e-03 1.023196335863e-03 -3.515731122266e-04 3*0.0 5.592992529214e-03 -8.093071120118e-04 -1.120901502595e-03 8.673676185595e-05 3.565834814699e-03 -6.799027940705e-04 1.925679573846e-04
|
||||
3*0.0 -5.908200522558e-03 9.434700851993e-04 1.625044231007e-03 -1.221411091339e-04 -4.284533238741e-03 9.893279046434e-04 -3.386294392931e-04 3*0.0 5.423250787710e-03 -7.826345237508e-04 -1.084597805922e-03 8.367135709417e-05 3.457784652338e-03 -6.579247561257e-04 1.848877928425e-04
|
||||
3*0.0 -5.763173669520e-03 9.150618338300e-04 1.573634578211e-03 -1.177158400282e-04 -4.168055566909e-03 9.565197963905e-04 -3.261237320551e-04 3*0.0 5.258230777434e-03 -7.568443045677e-04 -1.049584225058e-03 8.071337069976e-05 3.352924621126e-03 -6.366776726813e-04 1.774734842180e-04
|
||||
3*0.0 -5.621109213007e-03 8.874376112879e-04 1.523746566947e-03 -1.134432479651e-04 -4.054398747340e-03 9.247410464116e-04 -3.140417834107e-04 3*0.0 5.097824010112e-03 -7.319089386239e-04 -1.015816962071e-03 7.785872481334e-05 3.251170359494e-03 -6.161358267498e-04 1.703155195000e-04
|
||||
3*0.0 -5.481963803406e-03 8.605783397663e-04 1.475340051527e-03 -1.093183148512e-04 -3.943505712276e-03 8.939614881695e-04 -3.023698186313e-04 3*0.0 4.941923760848e-03 -7.078016682458e-04 -9.832534858757e-04 7.510349368173e-05 3.152439300656e-03 -5.962743370306e-04 1.634047247829e-04
|
||||
3*0.0 -5.345694241111e-03 8.344653262513e-04 1.428375767194e-03 -1.053361750482e-04 -3.835320210624e-03 8.641517368139e-04 -2.910944836873e-04 3*0.0 4.790425060830e-03 -6.844964764783e-04 -9.518525033344e-04 7.244389852298e-05 3.056650647917e-03 -5.770691351977e-04 1.567322534021e-04
|
||||
3*0.0 -5.212257494902e-03 8.090802570255e-04 1.382815316907e-03 -1.014921112275e-04 -3.729786807251e-03 8.352831729477e-04 -2.802028338344e-04 3*0.0 4.643224689281e-03 -6.619680699391e-04 -9.215739307805e-04 6.987630254288e-05 2.963725349914e-03 -5.584969436565e-04 1.502895753670e-04
|
||||
3*0.0 -5.081610719650e-03 7.844051922271e-04 1.338621158151e-03 -9.778155031272e-05 -3.626850881837e-03 8.073279264419e-04 -2.696823224320e-04 3*0.0 4.500221164697e-03 -6.401918619707e-04 -8.923788659774e-04 6.739720609902e-05 2.873586075797e-03 -5.405352537665e-04 1.440684670814e-04
|
||||
3*0.0 -4.953711273258e-03 7.604225603991e-04 1.295756589696e-03 -9.420005954144e-05 -3.526458627353e-03 7.802588606527e-04 -2.595207900385e-04 3*0.0 4.361314735406e-03 -6.191439560886e-04 -8.642295605056e-04 6.500324200878e-05 2.786157190385e-03 -5.231623045220e-04 1.380610013483e-04
|
||||
3*0.0 -4.828516732872e-03 7.371151530834e-04 1.254185738383e-03 -9.074334258007e-05 -3.428557048225e-03 7.540495567276e-04 -2.497064537490e-04 3*0.0 4.226407369466e-03 -5.988011297223e-04 -8.370893925825e-04 6.269117099758e-05 2.701364729298e-03 -5.063570616875e-04 1.322595376500e-04
|
||||
3*0.0 -4.705984910362e-03 7.144661193473e-04 1.213873545908e-03 -8.740723578601e-05 -3.333093957847e-03 7.286742981787e-04 -2.402278967530e-04 3*0.0 4.095402743950e-03 -5.791408182484e-04 -8.109228403135e-04 6.045787728383e-05 2.619136374081e-03 -4.900991973810e-04 1.266567127005e-04
|
||||
3*0.0 -4.586073867005e-03 6.924589604074e-04 1.174785755599e-03 -8.418770451548e-05 -3.240017976008e-03 7.041080556430e-04 -2.310740581599e-04 3*0.0 3.968206233628e-03 -5.601410993120e-04 -7.856954553754e-04 5.830036429718e-05 2.539401427348e-03 -4.743690701003e-04 1.212454312618e-04
|
||||
3*0.0 -4.468741927468e-03 6.710775242827e-04 1.136888899205e-03 -8.108083951035e-05 -3.149278525658e-03 6.803264717710e-04 -2.222342230204e-04 3*0.0 3.844724899093e-03 -5.417806774335e-04 -7.613738371306e-04 5.621575052646e-05 2.462090787941e-03 -4.591477051858e-04 1.160188572198e-04
|
||||
3*0.0 -4.353947692984e-03 6.503060003549e-04 1.100150283727e-03 -7.808285343126e-05 -3.060825829502e-03 6.573058464897e-04 -2.136980126247e-04 3*0.0 3.724867474347e-03 -5.240388689003e-04 -7.379256071723e-04 5.420126549417e-05 2.387136926136e-03 -4.444167757153e-04 1.109704049130e-04
|
||||
3*0.0 -4.241650053800e-03 6.301289140716e-04 1.064537978233e-03 -7.519007741931e-05 -2.974610906094e-03 6.350231223187e-04 -2.054553749847e-04 3*0.0 3.608544353876e-03 -5.068955869379e-04 -7.153193842993e-04 5.225424585409e-05 2.314473858892e-03 -4.301585838237e-04 1.060937307090e-04
|
||||
3*0.0 -4.131808200837e-03 6.105311216326e-04 1.030020800722e-03 -7.239895774011e-05 -2.890585565594e-03 6.134558699363e-04 -1.974965755472e-04 3*0.0 3.495667579247e-03 -4.903313271599e-04 -6.935247599191e-04 5.037213160889e-05 2.244037125173e-03 -4.163560424431e-04 1.013827248228e-04
|
||||
3*0.0 -4.024381636659e-03 5.914978046681e-04 9.965683050155e-04 -6.970605254913e-05 -2.808702405204e-03 5.925822739864e-04 -1.898121881339e-04 3*0.0 3.386150825243e-03 -4.743271532933e-04 -6.725122738781e-04 4.855246244453e-05 2.175763761338e-03 -4.029926574559e-04 9.683150337202e-05
|
||||
3*0.0 -3.919330185660e-03 5.730144649938e-04 9.641507677028e-04 -6.710802871732e-05 -2.728914804213e-03 5.723811190605e-04 -1.823930860953e-04 3*0.0 3.279909385573e-03 -4.588646831751e-04 -6.522533907166e-04 4.679287417840e-05 2.109592276625e-03 -3.900525102563e-04 9.243440066176e-05
|
||||
3*0.0 -3.816614003534e-03 5.550669193638e-04 9.327391751169e-04 -6.460165872131e-05 -2.651176918783e-03 5.528317758962e-04 -1.752304336616e-04 3*0.0 3.176860158174e-03 -4.439260750200e-04 -6.327204763475e-04 4.509109531821e-05 2.045462628732e-03 -3.775202407136e-04 8.818596169643e-05
|
||||
3*0.0 -3.716193586057e-03 5.376412943002e-04 9.023052103705e-04 -6.218381761511e-05 -2.575443676294e-03 5.339141877557e-04 -1.683156775051e-04 3*0.0 3.076921630123e-03 -4.294940139530e-04 -6.138867751551e-04 4.344494372865e-05 1.983316199505e-03 -3.653810305317e-04 8.408093491097e-05
|
||||
3*0.0 -3.618029777166e-03 5.207240208758e-04 8.728212404670e-04 -5.985148010437e-05 -2.501670769530e-03 5.156088570680e-04 -1.616405385169e-04 3*0.0 2.980013862206e-03 -4.155516988067e-04 -5.957263875135e-04 4.185232340290e-05 1.923095770752e-03 -3.536205869981e-04 8.011426511735e-05
|
||||
3*0.0 -3.522083776322e-03 5.043018296426e-04 8.442603034563e-04 -5.760171764397e-05 -2.429814650462e-03 4.978968322289e-04 -1.551970037619e-04 3*0.0 2.886058473132e-03 -4.020828291781e-04 -5.782142477201e-04 4.031122133630e-05 1.864745500180e-03 -3.422251271171e-04 7.628108666099e-05
|
||||
3*0.0 -3.428317145363e-03 4.883617455083e-04 8.165960956973e-04 -5.543169567625e-05 -2.359832523919e-03 4.807596946372e-04 -1.489773186606e-04 3*0.0 2.794978623449e-03 -3.890715927435e-04 -5.613261023425e-04 3.881970449924e-05 1.808210897475e-03 -3.311813621211e-04 7.257671678200e-05
|
||||
3*0.0 -3.336691814514e-03 4.728910826545e-04 7.898029591945e-04 -5.333867086492e-05 -2.291682340680e-03 4.641795459410e-04 -1.429739793279e-04 3*0.0 2.706698999161e-03 -3.765026528270e-04 -5.450384889757e-04 3.737591690670e-05 1.753438800530e-03 -3.204764823538e-04 6.899664917637e-05
|
||||
3*0.0 -3.247170087958e-03 4.578774395891e-04 7.638558690200e-04 -5.131998844551e-05 -2.225322790794e-03 4.481389954914e-04 -1.371797251352e-04 3*0.0 2.621145795068e-03 -3.643611362206e-04 -5.293287154059e-04 3.597807678176e-05 1.700377351827e-03 -3.100981425187e-04 6.553654775211e-05
|
||||
3*0.0 -3.159714648801e-03 4.433086941337e-04 7.387304208535e-04 -4.937307964066e-05 -2.160713296223e-03 4.326211479873e-04 -1.315875314317e-04 3*0.0 2.538246697868e-03 -3.526326212522e-04 -5.141748391783e-04 3.462447381051e-05 1.648975974986e-03 -3.000344472885e-04 6.219224057575e-05
|
||||
3*0.0 -3.074288563438e-03 4.291729985132e-04 7.144028186097e-04 -4.749545914350e-05 -2.097814003626e-03 4.176095914489e-04 -1.261906024834e-04 3*0.0 2.457930869015e-03 -3.413031260977e-04 -4.995556475653e-04 3.331346648579e-05 1.599185351485e-03 -2.902739372674e-04 5.895971400419e-05
|
||||
3*0.0 -2.990855285420e-03 4.154587745093e-04 6.908498621980e-04 -4.568472259920e-05 -2.036585776691e-03 4.030883851159e-04 -1.209823645351e-04 3*0.0 2.380128927373e-03 -3.303590973355e-04 -4.854506379307e-04 3.204347953739e-05 1.550957397559e-03 -2.808055753019e-04 5.583510699760e-05
|
||||
3*0.0 -2.909378658870e-03 4.021547085671e-04 6.680489354169e-04 -4.393854428982e-05 -1.976990188536e-03 3.890420479731e-04 -1.159564591319e-04 3*0.0 2.304772931671e-03 -3.197873987389e-04 -4.718399984876e-04 3.081300144620e-05 1.504245241284e-03 -2.716187331331e-04 5.281470560853e-05
|
||||
3*0.0 -2.829822921372e-03 3.892497470617e-04 6.459779939486e-04 -4.225467474803e-05 -1.918989513787e-03 3.754555471561e-04 -1.111067365449e-04 3*0.0 2.231796362787e-03 -3.095753003031e-04 -4.587045894452e-04 2.962058203998e-05 1.459003199860e-03 -2.627031783854e-04 4.989493764301e-05
|
||||
3*0.0 -2.752152706456e-03 3.767330915588e-04 6.246155535057e-04 -4.063093849709e-05 -1.862546720600e-03 3.623142867195e-04 -1.064272494003e-04 3*0.0 2.161134105870e-03 -2.997104675052e-04 -4.460259245401e-04 2.846483016858e-05 1.415186757086e-03 -2.540490618842e-04 4.707236748908e-05
|
||||
3*0.0 -2.676333045687e-03 3.645941941275e-04 6.039406781271e-04 -3.906523183629e-05 -1.807625462543e-03 3.496040965883e-04 -1.019122464733e-04 3*0.0 2.092722432321e-03 -2.901809507915e-04 -4.337861529495e-04 2.734441145609e-05 1.372752541041e-03 -2.456469052990e-04 4.434369110854e-05
|
||||
3*0.0 -2.602329370363e-03 3.528227527228e-04 5.839329686111e-04 -3.755552068616e-05 -1.754190070407e-03 3.373112217254e-04 -9.755616664378e-05 3*0.0 2.026498981653e-03 -2.809751752906e-04 -4.219680415814e-04 2.625804612807e-05 1.331658301980e-03 -2.374875891037e-04 4.170573118763e-05
|
||||
3*0.0 -2.530107512874e-03 3.414087065861e-04 5.645725511065e-04 -3.609983849426e-05 -1.702205543854e-03 3.254223115382e-04 -9.335363302426e-05 3*0.0 1.962402743240e-03 -2.720819307488e-04 -4.105549577365e-04 2.520450691140e-05 1.291862890441e-03 -2.295623408494e-04 3.915543244265e-05
|
||||
3*0.0 -2.459633707728e-03 3.303422317485e-04 5.458400658673e-04 -3.469628418539e-05 -1.651637543128e-03 3.139244094463e-04 -8.929944722951e-05 3*0.0 1.900374037965e-03 -2.634903616836e-04 -3.995308521396e-04 2.418261700491e-05 1.253326235573e-03 -2.218627237442e-04 3.668985707623e-05
|
||||
3*0.0 -2.390874592342e-03 3.196137365710e-04 5.277166561509e-04 -3.334302019137e-05 -1.602452380619e-03 3.028049426954e-04 -8.538858382427e-05 3*0.0 1.840354499803e-03 -2.551899577534e-04 -3.888802423341e-04 2.319124811856e-05 1.216009323689e-03 -2.143806255330e-04 3.430618038049e-05
|
||||
3*0.0 -2.323797207466e-03 3.092138572783e-04 5.101839573139e-04 -3.203827050928e-05 -1.554617012429e-03 2.920517124432e-04 -8.161618491177e-05 3*0.0 1.782287057326e-03 -2.471705443385e-04 -3.785881964370e-04 2.222931857929e-05 1.179874177051e-03 -2.071082476732e-04 3.200168648305e-05
|
||||
3*0.0 -2.258368997422e-03 2.991334536958e-04 4.932240860439e-04 -3.078031879198e-05 -1.508099029798e-03 2.816528838959e-04 -7.797755486564e-05 3*0.0 1.726115915167e-03 -2.394222733319e-04 -3.686403172475e-04 2.129579150162e-05 1.144883832882e-03 -2.000380947986e-04 2.977376423209e-05
|
||||
3*0.0 -2.194557810192e-03 2.893636048421e-04 4.768196297985e-04 -2.956750657793e-05 -1.462866650746e-03 2.715969768400e-04 -7.446815523554e-05 3*0.0 1.671786535438e-03 -2.319356141350e-04 -3.590227267073e-04 2.038967302100e-05 1.111002322617e-03 -1.931629644683e-04 2.761990321677e-05
|
||||
3*0.0 -2.132331897175e-03 2.798956047280e-04 4.609536363833e-04 -2.839823145916e-05 -1.418888711472e-03 2.618728562167e-04 -7.108359976079e-05 3*0.0 1.619245619129e-03 -2.247013448563e-04 -3.497220507060e-04 1.951001058809e-05 1.078194651398e-03 -1.864759371923e-04 2.553768991931e-05
|
||||
3*0.0 -2.071659912899e-03 2.707209581890e-04 4.456096037341e-04 -2.727094538800e-05 -1.376134658034e-03 2.524697230626e-04 -6.781964957175e-05 3*0.0 1.568441087493e-03 -2.177105437091e-04 -3.407254042273e-04 1.865589132228e-05 1.046426777806e-03 -1.799703667310e-04 2.352480399502e-05
|
||||
3*0.0 -2.012510914451e-03 2.618313767262e-04 4.307714698618e-04 -2.618415296679e-05 -1.334574537680e-03 2.433771055172e-04 -6.467220847605e-05 3*0.0 1.519322063430e-03 -2.109545806048e-04 -3.320203768323e-04 1.782644042249e-05 1.015665593839e-03 -1.736398706603e-04 2.157901467702e-05
|
||||
3*0.0 -1.954854360874e-03 2.532187744358e-04 4.164236029801e-04 -2.513640982488e-05 -1.294178990563e-03 2.345848501042e-04 -6.163731842027e-05 3*0.0 1.471838852880e-03 -2.044251089394e-04 -3.235950184734e-04 1.702081963379e-05 9.858789051422e-04 -1.674783211997e-04 1.969817730191e-05
|
||||
3*0.0 -1.898660112387e-03 2.448752639915e-04 4.025507918146e-04 -2.412632102352e-05 -1.254919241306e-03 2.260831131758e-04 -5.871115506611e-05 3*0.0 1.425942926242e-03 -1.981140575689e-04 -3.154378256363e-04 1.623822576787e-05 9.570354114856e-04 -1.614798362954e-04 1.788022995323e-05
|
||||
3*0.0 -1.843898429512e-03 2.367931526706e-04 3.891382360832e-04 -2.315253951509e-05 -1.216767090626e-03 2.178623526217e-04 -5.589002350760e-05 3*0.0 1.381586899823e-03 -1.920136229721e-04 -3.075377278025e-04 1.547788927599e-05 9.291046874932e-04 -1.556387709549e-04 1.612319021931e-05
|
||||
3*0.0 -1.790539972092e-03 2.289649384562e-04 3.761715371694e-04 -2.221376462855e-05 -1.179694907063e-03 2.099133196404e-04 -5.317035409156e-05 3*0.0 1.338724517326e-03 -1.861162615952e-04 -2.998840742298e-04 1.473907287271e-05 9.020571636289e-04 -1.499497088276e-04 1.442515206231e-05
|
||||
3*0.0 -1.738555798239e-03 2.213833062065e-04 3.636366889393e-04 -2.130874062444e-05 -1.143675618808e-03 2.022270508651e-04 -5.054869838948e-05 3*0.0 1.297310631401e-03 -1.804146823774e-04 -2.924666210452e-04 1.402107020880e-05 8.758641074365e-04 -1.444074540243e-04 1.278428279524e-05
|
||||
3*0.0 -1.687917363189e-03 2.140411238176e-04 3.515200687879e-04 -2.043625525767e-05 -1.108682705360e-03 1.947948605232e-04 -4.802172526524e-05 3*0.0 1.257301185242e-03 -1.749018394528e-04 -2.852755186451e-04 1.332320459194e-05 8.504976050371e-04 -1.390070231736e-04 1.119882016403e-05
|
||||
3*0.0 -1.638596518097e-03 2.069314385220e-04 3.398084288104e-04 -1.959513840935e-05 -1.074690189544e-03 1.876083328979e-04 -4.558621707423e-05 3*0.0 1.218653194271e-03 -1.695709250268e-04 -2.783012993972e-04 1.264482775367e-05 8.259305428854e-04 -1.337436377076e-04 9.667069531372e-06
|
||||
3*0.0 -1.590565508774e-03 2.000474731749e-04 3.284888871687e-04 -1.878426073871e-05 -1.041672629380e-03 1.806593148808e-04 -4.323906596952e-05 3*0.0 1.181324727887e-03 -1.644153624221e-04 -2.715348656421e-04 1.198531866114e-05 8.021365897842e-04 -1.286127163724e-04 8.187401159625e-06
|
||||
3*0.0 -1.543796974355e-03 1.933826226534e-04 3.175489196287e-04 -1.800253239379e-05 -1.009605110161e-03 1.739399087990e-04 -4.097727032677e-05 3*0.0 1.145274891314e-03 -1.594287992931e-04 -2.649674779857e-04 1.134408237235e-05 7.790901791596e-04 -1.236098679597e-04 6.758247589774e-06
|
||||
3*0.0 -1.498263945937e-03 1.869304502885e-04 3.069763512503e-04 -1.724890172331e-05 -9.784632365133e-04 1.674424652765e-04 -3.879793125109e-05 3*0.0 1.110463807533e-03 -1.546051010051e-04 -2.585907438806e-04 1.072054893341e-05 7.567664915963e-04 -1.187308842525e-04 5.378101113634e-06
|
||||
3*0.0 -1.453939845101e-03 1.806846843386e-04 2.967593482630e-04 -1.652235405920e-05 -9.482231245747e-04 1.611595764414e-04 -3.669824923696e-05 3*0.0 1.076852599325e-03 -1.499383441738e-04 -2.523966064909e-04 1.011417231661e-05 7.351414376340e-04 -1.139717331821e-04 4.045511336573e-06
|
||||
3*0.0 -1.410798482516e-03 1.746392144899e-04 2.868864101003e-04 -1.582191054335e-05 -9.188613942372e-04 1.550840691604e-04 -3.467552088435e-05 3*0.0 1.044403371422e-03 -1.454228103649e-04 -2.463773338349e-04 9.524429397951e-06 7.141916408245e-04 -1.093285521903e-04 2.759082828053e-06
|
||||
3*0.0 -1.368814056358e-03 1.687880885265e-04 2.773463615729e-04 -1.514662692448e-05 -8.903551614227e-04 1.492089984579e-04 -3.272713572542e-05 3*0.0 1.013079192769e-03 -1.410529799483e-04 -2.405255082010e-04 8.950818972849e-06 6.938944210504e-04 -1.047976417924e-04 1.517472857348e-06
|
||||
3*0.0 -1.327961150760e-03 1.631255089003e-04 2.681283452204e-04 -1.449559247697e-05 -8.626820305760e-04 1.435276411915e-04 -3.085057317282e-05 3*0.0 9.828440789143e-04 -1.368235261055e-04 -2.348340158329e-04 8.392860808914e-06 6.742277781041e-04 -1.003754593367e-04 3.193892118970e-07
|
||||
3*0.0 -1.288214734188e-03 1.576458294597e-04 2.592218138235e-04 -1.386792887199e-05 -8.358200869772e-04 1.380334897381e-04 -2.904339952190e-05 3*0.0 9.536629745289e-04 -1.327293089863e-04 -2.292960368786e-04 7.850094734490e-06 6.551703755278e-04 -9.605861295571e-05 -8.364119042248e-07
|
||||
3*0.0 -1.249550157845e-03 1.523435522045e-04 2.506165230374e-04 -1.326278916101e-05 -8.097478894825e-04 1.327202460164e-04 -2.730326509637e-05 3*0.0 9.255017360559e-04 -1.287653700127e-04 -2.239050355982e-04 7.322079761881e-06 6.367015247140e-04 -9.184385570437e-05 -1.951127894159e-06
|
||||
3*0.0 -1.211943153852e-03 1.472133240881e-04 2.423025241905e-04 -1.267935667112e-05 -7.844444629104e-04 1.275818153608e-04 -2.562790139607e-05 3*0.0 8.983271145031e-04 -1.249269263271e-04 -2.186547508260e-04 6.808393244106e-06 6.188011692647e-04 -8.772807988110e-05 -3.025911716819e-06
|
||||
3*0.0 -1.175369833572e-03 1.422499338502e-04 2.342701572435e-04 -1.211684408132e-05 -7.598892908915e-04 1.226123009384e-04 -2.401511843990e-05 3*0.0 8.721067383808e-04 -1.212093653813e-04 -2.135391866833e-04 6.308630064111e-06 6.014498696101e-04 -8.370831152728e-05 -4.061873762481e-06
|
||||
3*0.0 -1.139806685778e-03 1.374483089311e-04 2.265100438621e-04 -1.157449241467e-05 -7.360623085705e-04 1.178059979900e-04 -2.246280211068e-05 3*0.0 8.468090967887e-04 -1.176082396640e-04 -2.085526035349e-04 5.822401855358e-06 5.846287878855e-04 -7.978170510073e-05 -5.060083657673e-06
|
||||
3*0.0 -1.105230574785e-03 1.328035124603e-04 2.190130806317e-04 -1.105157009318e-05 -7.129438954233e-04 1.131573883324e-04 -2.096891160841e-05 3*0.0 8.224035226579e-04 -1.141192615641e-04 -2.036895091867e-04 5.349336252777e-06 5.683196730642e-04 -7.594553831908e-05 -6.021572001573e-06
|
||||
3*0.0 -1.071618738548e-03 1.283107402008e-04 2.117704324352e-04 -1.054737203999e-05 -6.905148681602e-04 1.086611350028e-04 -1.953147698872e-05 3*0.0 7.988601761516e-04 -1.107382983673e-04 -1.989446503193e-04 4.889076173064e-06 5.525048463477e-04 -7.219720716880e-05 -6.947332036082e-06
|
||||
3*0.0 -1.038948786658e-03 1.239653176520e-04 2.047735259269e-04 -1.006121878161e-05 -6.687564737490e-04 1.043120770220e-04 -1.814859676532e-05 3*0.0 7.761500282291e-04 -1.074613673824e-04 -1.943130041518e-04 4.441279123356e-06 5.371671868091e-04 -6.853422107583e-05 -7.838321251660e-06
|
||||
3*0.0 -1.007198698336e-03 1.197626971185e-04 1.980140431628e-04 -9.592455588926e-06 -6.476503823115e-04 1.001052242611e-04 -1.681843559444e-05 3*0.0 7.542448443764e-04 -1.042846311958e-04 -1.897897703332e-04 4.005616537331e-06 5.222901172909e-04 -6.495419823371e-05 -8.695462930990e-06
|
||||
3*0.0 -9.763468203136e-04 1.156984548954e-04 1.914839153420e-04 -9.140451643356e-06 -6.271786803344e-04 9.603575247738e-05 -1.553922202544e-05 3*0.0 7.331171685070e-04 -1.012043930502e-04 -1.853703630556e-04 3.581773137821e-06 5.078575905541e-04 -6.145486108539e-05 -9.519647632454e-06
|
||||
3*0.0 -9.463718646769e-04 1.117682884471e-04 1.851753166804e-04 -8.704599225876e-06 -6.073238637760e-04 9.209899844807e-05 -1.430924632631e-05 3*0.0 7.127403070362e-04 -9.821709234713e-05 -1.810504033849e-04 3.169446325029e-06 4.938540756777e-04 -5.803403195468e-05 -1.031173461537e-05
|
||||
3*0.0 -9.172529066410e-04 1.079680136421e-04 1.790806584070e-04 -8.284312938706e-06 -5.880688313020e-04 8.829045523758e-05 -1.312685837658e-05 3*0.0 6.930883131323e-04 -9.531930026765e-05 -1.768257118052e-04 2.768345589493e-06 4.802645447072e-04 -5.468962882353e-05 -1.107255320888e-05
|
||||
3*0.0 -8.889693822297e-04 1.042935621157e-04 1.731925828599e-04 -7.879028914143e-06 -5.693968775136e-04 8.460576755218e-05 -1.199046561557e-05 3*0.0 6.741359711469e-04 -9.250771551175e-05 -1.726923009713e-04 2.378191948943e-06 4.670744595494e-04 -5.141966125157e-05 -1.180290412636e-05
|
||||
3*0.0 -8.615010859365e-04 1.007409785099e-04 1.675039577350e-04 -7.488204119252e-06 -5.512916863647e-04 8.104072725864e-05 -1.089853107188e-05 3*0.0 6.558587812271e-04 -8.977916015196e-05 -1.686463686669e-04 1.998717408241e-06 4.542697591128e-04 -4.822222643388e-05 -1.250356072709e-05
|
||||
3*0.0 -8.348281682700e-04 9.730641793250e-05 1.620078704116e-04 -7.111315612373e-06 -5.337373245759e-04 7.759126902607e-05 -9.849571455467e-06 3*0.0 6.382329441126e-04 -8.713057559950e-05 -1.646842909622e-04 1.629664441595e-06 4.418368466912e-04 -4.509550539377e-05 -1.317527022703e-05
|
||||
3*0.0 -8.089311332541e-04 9.398614336747e-05 1.566976224180e-04 -6.747859856224e-06 -5.167182349532e-04 7.425346597038e-05 -8.842155280022e-06 3*0.0 6.212353461181e-04 -8.455901868045e-05 -1.608026155678e-04 1.270785496285e-06 4.297625775883e-04 -4.203775930663e-05 -1.381875486026e-05
|
||||
3*0.0 -7.837908358369e-04 9.077652314203e-05 1.515667239820e-04 -6.397352029477e-06 -5.002192300208e-04 7.102352546440e-05 -7.874901068275e-06 3*0.0 6.048435443057e-04 -8.206165781948e-05 -1.569980553806e-04 9.218425171454e-07 4.180342469814e-04 -3.904732595164e-05 -1.443471299288e-05
|
||||
3*0.0 -7.593884792221e-04 8.767402845973e-05 1.466088887123e-04 -6.059325397466e-06 -4.842254855194e-04 6.789778518763e-05 -6.946475628203e-06 3*0.0 5.890357518461e-04 -7.963576932892e-05 -1.532674822173e-04 5.826064910740e-07 4.066395780224e-04 -3.612261628779e-05 -1.502382019096e-05
|
||||
3*0.0 -7.357056122177e-04 8.467523098975e-05 1.418180283647e-04 -5.733330675796e-06 -4.687225341425e-04 6.487270904386e-05 -6.055592354895e-06 3*0.0 5.737908235725e-04 -7.727873380061e-05 -1.496079207317e-04 2.528570108640e-07 3.955667101736e-04 -3.326211115085e-05 -1.558673024397e-05
|
||||
3*0.0 -7.127241263137e-04 8.177680043377e-05 1.371882477306e-04 -5.418935398643e-06 -4.536962591141e-04 6.194488334710e-05 -5.201009593993e-06 3*0.0 5.590882417267e-04 -7.498803259861e-05 -1.460165425114e-04 -6.761814232842e-08 3.848041877758e-04 -3.046435806806e-05 -1.612407614540e-05
|
||||
3*0.0 -6.904262529028e-04 7.897550220443e-05 1.327138396130e-04 -5.115723341371e-06 -4.391328879468e-04 5.911101303403e-05 -4.381529068522e-06 3*0.0 5.449081019005e-04 -7.276124445013e-05 -1.424906603504e-04 -3.790233985470e-07 3.743409488473e-04 -2.772796818720e-05 -1.663647103196e-05
|
||||
3*0.0 -6.687945603081e-04 7.626819511552e-05 1.283892799091e-04 -4.823293940846e-06 -4.250189862587e-04 5.636791799633e-05 -3.595994346983e-06 3*0.0 5.312310991718e-04 -7.059604213276e-05 -1.390277226934e-04 -6.815557812731e-07 3.641663141100e-04 -2.505161331701e-05 -1.712450908276e-05
|
||||
3*0.0 -6.478119507708e-04 7.365182912276e-05 1.242092227876e-04 -4.541261738841e-06 -4.113414516151e-04 5.371252950396e-05 -2.843289361945e-06 3*0.0 5.180385144370e-04 -6.849018925573e-05 -1.356253082474e-04 -9.754052729648e-07 3.542699762414e-04 -2.243402307581e-05 -1.758876637997e-05
|
||||
3*0.0 -6.274616573875e-04 7.112344308012e-05 1.201684959729e-04 -4.269255849783e-06 -3.980875074296e-04 5.114188671604e-05 -2.122336980231e-06 3*0.0 5.053122009404e-04 -6.644153713298e-05 -1.322811207581e-04 -1.260755164503e-06 3.446419893503e-04 -1.987398214515e-05 -1.802980173226e-05
|
||||
3*0.0 -6.077272409014e-04 6.868016264098e-05 1.162620960964e-04 -4.006919405306e-06 -3.852446969232e-04 4.865313327585e-05 -1.432097609199e-06 3*0.0 4.930345710012e-04 -6.444802174608e-05 -1.289929839461e-04 -1.537782389134e-06 3.352727586717e-04 -1.737032762572e-05 -1.844815746234e-05
|
||||
3*0.0 -5.885925865770e-04 6.631919800305e-05 1.124851841887e-04 -3.753909098156e-06 -3.728008771479e-04 4.624351401796e-05 -7.715678653907e-07 3*0.0 4.811885829379e-04 -6.250766079477e-05 -1.257588365997e-04 -1.806657841482e-06 3.261530304809e-04 -1.492194649251e-05 -1.884436015990e-05
|
||||
3*0.0 -5.700419008665e-04 6.403784188918e-05 1.088330812196e-04 -3.509894659121e-06 -3.607442130493e-04 4.391037173435e-05 -1.397792706792e-07 3*0.0 4.697577281910e-04 -6.061855083318e-05 -1.225767278206e-04 -2.067546682174e-06 3.172738822222e-04 -1.252777314631e-05 -1.921892140118e-05
|
||||
3*0.0 -5.520597080854e-04 6.183346746684e-05 1.053012637527e-04 -3.274558390083e-06 -3.490631715928e-04 4.165114402457e-05 4.642030021990e-07 3*0.0 4.587260186444e-04 -5.877886448976e-05 -1.194448124188e-04 -2.320608628629e-06 3.086267128512e-04 -1.018678705883e-05 -1.957233843646e-05
|
||||
3*0.0 -5.346308470088e-04 5.970352634637e-05 1.018853596747e-04 -3.047594708075e-06 -3.377465160230e-04 3.946336028690e-05 1.041281341298e-06 3*0.0 4.480779741443e-04 -5.698684776877e-05 -1.163613464531e-04 -2.565998232511e-06 3.002032333866e-04 -7.898010508703e-06 -1.990509484648e-05
|
||||
3*0.0 -5.177404674387e-04 5.764554657058e-05 9.858114403428e-05 -2.828709700269e-06 -3.267832999568e-04 3.734463869853e-05 1.592326866027e-06 3*0.0 4.377986102166e-04 -5.524081743162e-05 -1.133246829144e-04 -2.803865144365e-06 2.919954576696e-04 -5.660506405662e-06 -2.021766116910e-05
|
||||
3*0.0 -5.013740266839e-04 5.565713071353e-05 9.538453494828e-05 -2.617620692920e-06 -3.161628618324e-04 3.529268332756e-05 2.118180569133e-06 3*0.0 4.278734259817e-04 -5.353915845597e-05 -1.103332675470e-04 -3.034354365919e-06 2.839956933286e-04 -3.473376200272e-06 -2.051049549722e-05
|
||||
3*0.0 -4.855172860069e-04 5.373595393095e-05 9.229158959949e-05 -2.414055831402e-06 -3.058748191765e-04 3.330528129629e-05 2.619654410007e-06 3*0.0 4.182883922677e-04 -5.188032157081e-05 -1.073856348056e-04 -3.257606490508e-06 2.761965329454e-04 -1.335757876699e-06 -2.078404404907e-05
|
||||
3*0.0 -4.701563070248e-04 5.187976214689e-05 8.929850032493e-05 -2.217753689634e-06 -2.959090630908e-04 3.138030009581e-05 3.097532369907e-06 3*0.0 4.090299399190e-04 -5.026282086572e-05 -1.044804039448e-04 -3.473757932107e-06 2.685908454210e-04 7.531759740319e-07 -2.103874171183e-05
|
||||
3*0.0 -4.552774480335e-04 5.008637019140e-05 8.640159078221e-05 -2.028462866226e-06 -2.862557526531e-04 2.951568487209e-05 3.552571483728e-06 3*0.0 4.000849483027e-04 -4.868523147233e-05 -1.016162752365e-04 -3.682941143380e-06 2.611717675381e-04 2.794220002714e-06 -2.127501255973e-05
|
||||
3*0.0 -4.408673604247e-04 4.835366003386e-05 8.359731219234e-05 -1.845941638325e-06 -2.769053096398e-04 2.770945584686e-05 3.985502813192e-06 3*0.0 3.914407340100e-04 -4.714618731644e-05 -9.879202631381e-05 -3.885284823198e-06 2.539326957173e-04 4.788137874974e-06 -2.149327034752e-05
|
||||
3*0.0 -4.269129848017e-04 4.667957899747e-05 8.088223968566e-05 -1.669957562723e-06 -2.678484128719e-04 2.595970580219e-05 4.397032420323e-06 3*0.0 3.830850397523e-04 -4.564437893888e-05 -9.600650863649e-05 -4.080914114036e-06 2.468672779644e-04 6.735663970947e-06 -2.169391898018e-05
|
||||
3*0.0 -4.134015473238e-04 4.506213808870e-05 7.825306869115e-05 -1.500287130771e-06 -2.590759930525e-04 2.426459756804e-05 4.787842291569e-06 3*0.0 3.750060234518e-04 -4.417855138349e-05 -9.325864407640e-05 -4.269950789629e-06 2.399694060057e-04 8.637505013919e-06 -2.187735296005e-05
|
||||
3*0.0 -4.003205558864e-04 4.349941026408e-05 7.570661144956e-05 -1.336715453626e-06 -2.505792274531e-04 2.262236172896e-05 5.158591208011e-06 3*0.0 3.671922475245e-04 -4.274750215050e-05 -9.054742161876e-05 -4.452513433304e-06 2.332332076095e-04 1.049434163014e-05 -2.204395781195e-05
|
||||
3*0.0 -3.876577963003e-04 4.198952880286e-05 7.323979357092e-05 -1.179035919039e-06 -2.423495347033e-04 2.103129424987e-05 5.509915618489e-06 3*0.0 3.596326683556e-04 -4.135007921370e-05 -8.787189417683e-05 -4.628717607344e-06 2.266530390893e-04 1.230682984202e-05 -2.219411048738e-05
|
||||
3*0.0 -3.754013284430e-04 4.053068573155e-05 7.084965067016e-05 -1.027049859339e-06 -2.343785696500e-04 1.948975420781e-05 5.842430478348e-06 3*0.0 3.523166259653e-04 -3.998517909978e-05 -8.523117551674e-05 -4.798676013743e-06 2.202234779876e-04 1.407560249677e-05 -2.232817974854e-05
|
||||
3*0.0 -3.635394823965e-04 3.912113017454e-05 6.853332510887e-05 -8.805662753677e-07 -2.266582182501e-04 1.799616163758e-05 6.156730032264e-06 3*0.0 3.452338338645e-04 -3.865174502820e-05 -8.262443728988e-05 -4.962498646720e-06 2.139393159364e-04 1.580127063267e-05 -2.244652653307e-05
|
||||
3*0.0 -3.520608545528e-04 3.775916685593e-05 6.628806277411e-05 -7.394015281471e-07 -2.191805926410e-04 1.654899540941e-05 6.453388598405e-06 3*0.0 3.383743690987e-04 -3.734876511016e-05 -8.005090616972e-05 -5.120292937311e-06 2.077955516921e-04 1.748442478488e-05 -2.254950430009e-05
|
||||
3*0.0 -3.409543036919e-04 3.644315460414e-05 6.411120995149e-05 -6.033790364594e-07 -2.119380260909e-04 1.514679112417e-05 6.732961311524e-06 3*0.0 3.317286624783e-04 -3.607527060496e-05 -7.750986109044e-05 -5.272163890380e-06 2.017873843419e-04 1.912563623281e-05 -2.263745935859e-05
|
||||
3*0.0 -3.302089471143e-04 3.517150479659e-05 6.200021027699e-05 -4.723290315594e-07 -2.049230681338e-04 1.378813911112e-05 6.995984845085e-06 3*0.0 3.252874889954e-04 -3.483033423255e-05 -7.500063058459e-05 -5.418214214352e-06 1.959102066782e-04 2.072545819104e-05 -2.271073117864e-05
|
||||
3*0.0 -3.198141566724e-04 3.394268000893e-05 5.995260173273e-05 -3.460882714268e-07 -1.981284797958e-04 1.247168253990e-05 7.242978098598e-06 3*0.0 3.190419584235e-04 -3.361306854039e-05 -7.252259021715e-05 -5.558544443986e-06 1.901595987402e-04 2.228442694556e-05 -2.276965268628e-05
|
||||
3*0.0 -3.097595548592e-04 3.275519252839e-05 5.796601375412e-05 -2.244997967953e-07 -1.915472288319e-04 1.119611547523e-05 7.474442870616e-06 3*0.0 3.129835061002e-04 -3.242262432369e-05 -7.007516011324e-05 -5.693253056479e-06 1.845313215169e-04 2.380306293724e-05 -2.281455054278e-05
|
||||
3*0.0 -3.000350108613e-04 3.160760299371e-05 5.603816436018e-05 -1.074126653277e-07 -1.851724850197e-04 9.960180998987e-06 7.690864512641e-06 3*0.0 3.071038838907e-04 -3.125818909711e-05 -6.765780257704e-05 -5.822436581174e-06 1.790213108119e-04 2.528187179427e-05 -2.284574540877e-05
|
||||
3*0.0 -2.906306366166e-04 3.049851906514e-05 5.416685739205e-05 5.318272105554e-09 -1.789976155524e-04 8.762669539652e-06 7.892712532908e-06 3*0.0 3.013951513307e-04 -3.011898561699e-05 -6.527001979932e-05 -5.946189703164e-06 1.736256712645e-04 2.672134531539e-05 -2.286355219418e-05
|
||||
3*0.0 -2.815367829066e-04 2.942659406871e-05 5.234997979483e-05 1.138325956584e-07 -1.730161805008e-04 7.602417077406e-06 8.080441203518e-06 3*0.0 2.958496669461e-04 -2.900427045250e-05 -6.291135165108e-05 -6.064605361047e-06 1.683406705265e-04 2.812196240550e-05 -2.286828029423e-05
|
||||
3*0.0 -2.727440353933e-04 2.839052571174e-05 5.058549898241e-05 2.182645551486e-07 -1.672219283355e-04 6.478303485691e-06 8.254490140546e-06 3*0.0 2.904600797487e-04 -2.791333260441e-05 -6.058137356101e-05 -6.177774839091e-06 1.631627335903e-04 2.948418996539e-05 -2.286023381246e-05
|
||||
3*0.0 -2.642432107070e-04 2.738905483183e-05 4.887146024951e-05 3.187432746443e-07 -1.616087914964e-04 5.389250900336e-06 8.415284856130e-06 3*0.0 2.852193209065e-04 -2.684549217032e-05 -5.827969447416e-05 -6.285787854050e-06 1.580884372667e-04 3.080848373714e-05 -2.283971177109e-05
|
||||
3*0.0 -2.560253525329e-04 2.642096414839e-05 4.720598426206e-05 4.153929605243e-07 -1.561708820503e-04 4.334222152364e-06 8.563237294355e-06 3*0.0 2.801205955853e-04 -2.580009905501e-05 -5.600595488978e-05 -6.388732636881e-06 1.531145048092e-04 3.209528910679e-05 -2.280700830933e-05
|
||||
3*0.0 -2.480817277064e-04 2.548507707163e-05 4.558726460562e-05 5.083330999468e-07 -1.509024874351e-04 3.312219242901e-06 8.698746348023e-06 3*0.0 2.751573749605e-04 -2.477653172457e-05 -5.375982497581e-05 -6.486696009577e-06 1.482378006822e-04 3.334504186584e-05 -2.276241287039e-05
|
||||
3*0.0 -2.404038223248e-04 2.458025651451e-05 4.401356539688e-05 5.976786526806e-07 -1.457980662093e-04 2.322281858511e-06 8.822198353653e-06 3*0.0 2.703233883978e-04 -2.377419600334e-05 -5.154100275789e-05 -6.579763457351e-06 1.434553254701e-04 3.455816893300e-05 -2.270621037732e-05
|
||||
3*0.0 -2.329833378719e-04 2.370540373698e-05 4.248321895962e-05 6.835402282484e-07 -1.408522440291e-04 1.363485971824e-06 8.933967568771e-06 3*0.0 2.656126158002e-04 -2.279252391221e-05 -4.934921238081e-05 -6.668019196375e-06 1.387642109251e-04 3.573508903762e-05 -2.263868139861e-05
|
||||
3*0.0 -2.258121873311e-04 2.285945727411e-05 4.099462354122e-05 7.660242957019e-07 -1.360598093568e-04 4.349423966934e-07 9.034416639626e-06 3*0.0 2.610192801187e-04 -2.183097254732e-05 -4.718420243999e-05 -6.751546237281e-06 1.341617151514e-04 3.687621336634e-05 -2.256010230366e-05
|
||||
3*0.0 -2.188824914580e-04 2.204139175945e-05 3.954624112713e-05 8.452332947501e-07 -1.314157097193e-04 -4.642044999210e-07 9.123897023767e-06 3*0.0 2.565378400264e-04 -2.088902299795e-05 -4.504574438126e-05 -6.830426444627e-06 1.296452179217e-04 3.798194617416e-05 -2.247074540888e-05
|
||||
3*0.0 -2.121865748289e-04 2.125021690752e-05 3.813659527905e-05 9.212658570822e-07 -1.269150475683e-04 -1.334778114391e-06 9.202749438493e-06 3*0.0 2.521629827524e-04 -1.996617930246e-05 -4.293363096658e-05 -6.904740592512e-06 1.252122161252e-04 3.905268536139e-05 -2.237087911469e-05
|
||||
3*0.0 -2.057169621260e-04 2.048497645957e-05 3.676426904028e-05 9.942169385881e-07 -1.225530764991e-04 -2.177570868815e-06 9.271304256518e-06 3*0.0 2.478896170743e-04 -1.906196744127e-05 -4.084767480390e-05 -6.974568416529e-06 1.208603193432e-04 4.008882301770e-05 -2.226076803389e-05
|
||||
3*0.0 -1.994663743693e-04 1.974474717139e-05 3.542790289718e-05 1.064177974434e-06 -1.183251974396e-04 -2.993345418786e-06 9.329881903808e-06 3*0.0 2.437128664672e-04 -1.817593436576e-05 -3.878770693913e-05 -7.039988662231e-06 1.165872455505e-04 4.109074593453e-05 -2.214067311193e-05
|
||||
3*0.0 -1.934277251644e-04 1.902863780885e-05 3.412619280292e-05 1.131237031791e-06 -1.142269549072e-04 -3.782835852386e-06 9.378793239192e-06 3*0.0 2.396280624066e-04 -1.730764706209e-05 -3.675357550834e-05 -7.101079130276e-06 1.123908169397e-04 4.205883608717e-05 -2.201085173927e-05
|
||||
3*0.0 -1.875941170078e-04 1.833578818419e-05 3.285788824187e-05 1.195478940305e-06 -1.102540333713e-04 -4.546748746672e-06 9.418339908575e-06 3*0.0 2.356307378236e-04 -1.645669164891e-05 -3.474514444831e-05 -7.157916718423e-06 1.082689558660e-04 4.299347108753e-05 -2.187155785645e-05
|
||||
3*0.0 -1.819588375954e-04 1.766536821455e-05 3.162179035717e-05 1.256985440291e-06 -1.064022536013e-04 -5.285764385516e-06 9.448814709131e-06 3*0.0 2.317166207105e-04 -1.562267250800e-05 -3.276229226360e-05 -7.210577460531e-06 1.042196809099e-04 4.389502460896e-05 -2.172304205207e-05
|
||||
3*0.0 -1.765153561912e-04 1.701657700431e-05 3.041675012875e-05 1.315835302226e-06 -1.026675691854e-04 -6.000537721602e-06 9.470501913291e-06 3*0.0 2.278816278741e-04 -1.480521144681e-05 -3.080491084841e-05 -7.259136562713e-06 1.002411030561e-04 4.476386678401e-05 -2.156555165415e-05
|
||||
3*0.0 -1.712573199932e-04 1.638864192109e-05 2.924166658834e-05 1.372104468413e-06 -9.904606295620e-05 -6.691699504492e-06 9.483677604823e-06 3*0.0 2.241218588343e-04 -1.400394689207e-05 -2.887290436144e-05 -7.303668436786e-06 9.633142198426e-05 4.560036457646e-05 -2.139933081512e-05
|
||||
3*0.0 -1.661785505706e-04 1.578081775965e-05 2.809548511115e-05 1.425866149344e-06 -9.553394382382e-05 -7.359857138304e-06 9.488609964629e-06 3*0.0 2.204335898677e-04 -1.321853311341e-05 -2.696618815207e-05 -7.344246731171e-06 9.248892247211e-05 4.640488212848e-05 -2.122462059087e-05
|
||||
3*0.0 -1.612730403086e-04 1.519238586475e-05 2.697719573090e-05 1.477190959150e-06 -9.212754314012e-05 -8.005595743776e-06 9.485559592625e-06 3*0.0 2.168132681916e-04 -1.244863947620e-05 -2.508468773621e-05 -7.380944359365e-06 8.871197090551e-05 4.717778108399e-05 -2.104165901410e-05
|
||||
3*0.0 -1.565349488988e-04 1.462265330453e-05 2.588583151535e-05 1.526147019515e-06 -8.882331160291e-05 -8.629479043598e-06 9.474779780313e-06 3*0.0 2.132575062879e-04 -1.169394972267e-05 -2.322833782025e-05 -7.413833526109e-06 8.499901189536e-05 4.791942088935e-05 -2.085068116235e-05
|
||||
3*0.0 -1.519585998677e-04 1.407095206448e-05 2.482046698377e-05 1.572800066619e-06 -8.561781599932e-05 -9.232050256484e-06 9.456516788046e-06 3*0.0 2.097630763642e-04 -1.095416128052e-05 -2.139708137139e-05 -7.442985751398e-06 8.134856499790e-05 4.863015907210e-05 -2.065191922092e-05
|
||||
3*0.0 -1.475384771392e-04 1.353663825416e-05 2.378021657525e-05 1.617213555093e-06 -8.250773606206e-05 -9.813832960490e-06 9.431010106416e-06 3*0.0 2.063269049503e-04 -1.022898459811e-05 -1.959086873303e-05 -7.468471892427e-06 7.775922153647e-05 4.931035149891e-05 -2.044560254106e-05
|
||||
3*0.0 -1.432692216475e-04 1.301909132464e-05 2.276423316149e-05 1.659448748225e-06 -7.948986138484e-05 -1.037533191773e-05 9.398492707988e-06 3*0.0 2.029460676274e-04 -9.518142505416e-06 -1.780965678352e-05 -7.490362163606e-06 7.422964152246e-05 4.996035261350e-05 -2.023195769357e-05
|
||||
3*0.0 -1.391456279410e-04 1.251771339258e-05 2.177170658173e-05 1.699564841625e-06 -7.656108837897e-05 -1.091703388507e-05 9.359191293036e-06 3*0.0 1.996177838881e-04 -8.821369600050e-06 -1.605340813690e-05 -7.508726154739e-06 7.075855067309e-05 5.058051565550e-05 -2.001120851826e-05
|
||||
3*0.0 -1.351626409206e-04 1.203192840523e-05 2.080186226860e-05 1.737619011592e-06 -7.371841734845e-05 -1.143940837765e-05 9.313326516066e-06 3*0.0 1.963394121256e-04 -8.138411657451e-06 -1.432209038423e-05 -7.523632847484e-06 6.734473752396e-05 5.117119286097e-05 -1.978357616937e-05
|
||||
3*0.0 -1.313153525233e-04 1.156118149516e-05 1.985395986710e-05 1.773666526316e-06 -7.095894953598e-05 -1.194290838964e-05 9.261113206170e-06 3*0.0 1.931084447489e-04 -7.469025064571e-06 -1.261567537404e-05 -7.535150630191e-06 6.398705063415e-05 5.173273564562e-05 -1.954927915715e-05
|
||||
3*0.0 -1.275989984948e-04 1.110493828788e-05 1.892729191977e-05 1.807760828612e-06 -6.827988433365e-05 -1.242797115606e-05 9.202760587599e-06 3*0.0 1.899225034227e-04 -6.812976276270e-06 -1.093413853062e-05 -7.543347311203e-06 6.068439588166e-05 5.226549477128e-05 -1.930853338605e-05
|
||||
3*0.0 -1.240089551974e-04 1.066268422037e-05 1.802118258568e-05 1.839953611302e-06 -6.567851645586e-05 -1.289501880810e-05 9.138472477482e-06 3*0.0 1.867793344301e-04 -6.170041293733e-06 -9.277458208793e-06 -7.548290130736e-06 5.743573384719e-05 5.276982049656e-05 -1.906155218955e-05
|
||||
3*0.0 -1.205407364257e-04 1.023392388904e-05 1.713498640179e-05 1.870294898815e-06 -6.315223326172e-05 -1.334445904710e-05 9.068447484628e-06 3*0.0 1.836768041546e-04 -5.540005164181e-06 -7.645615083904e-06 -7.550045771399e-06 5.424007728410e-05 5.324606271241e-05 -1.880854636184e-05
|
||||
|
||||
Spline
|
||||
31 4.66866
|
||||
1.558606732347297 3.709742217533178 -0.8319996368153171
|
||||
1.6 1.7 2.54157007624398 -5.258068466817158 4.097630455762125 0.5416979206736694
|
||||
1.7 1.8 2.05728123204056 -4.422291438044525 4.260139831964226 -2.708489603369309
|
||||
1.8 1.9 1.65494499695238 -3.651518159752758 3.447592950953433 -1.542410640659015
|
||||
1.9 2 1.32272669984598 -3.008271888781842 2.984869758755729 -1.584039861132734
|
||||
2 2.1 1.05016416869422 -2.458819132864678 2.509657800415908 -1.325350806273078
|
||||
2.1 2.2 0.828053482605638 -1.996648096969689 2.112052558533984 -1.169330960297689
|
||||
2.2 2.3 0.6483398675337112 -1.609317514071822 1.761253270444677 -1.006913164776873
|
||||
2.3 2.4 0.5040137356661993 -1.287274254926194 1.459179321011616 -0.8662348892489794
|
||||
2.4 2.5 0.389011868494447 -1.02142543740134 1.199308854236922 -0.7386697339875734
|
||||
2.5 2.6 0.2981237435626946 -0.8037237585735825 0.9777079340406499 -0.6254421483510081
|
||||
2.6 2.7 0.2269030048973918 -0.6269454362159826 0.7900752895353473 -0.5251370546368505
|
||||
2.7 2.8 0.1715840771165101 -0.4846844899480185 0.6325341731442921 -0.4370466342974049
|
||||
2.8 2.9 0.1290039232188539 -0.3712890543480826 0.5014201828550711 -0.3602735592237616
|
||||
2.9 3 0.09652894605337256 -0.2818132245537812 0.3933381150879425 -0.293971280400899
|
||||
3 3.1 0.07198703346847295 -0.2119647399482196 0.3051467309676727 -0.2372796419969311
|
||||
3.1 3.2 0.05360474714133077 -0.158053783014593 0.2339628383685933 -0.1893421363541753
|
||||
3.2 3.3 0.03994965508720322 -0.1169414794314995 0.1771601974623407 -0.1493012699360088
|
||||
3.3 3.4 0.02987780784874069 -0.08598847803711177 0.1323698164815382 -0.1162998445463523
|
||||
3.4 3.5 0.02248635836529854 -0.06300351007719468 0.09747986311763245 -0.08948046650583021
|
||||
3.5 3.6 0.01707132552224956 -0.04619195144884308 0.07063572316588336 -0.06798622872854239
|
||||
3.6 3.7 0.01309050138029554 -0.03410439367752267 0.05023985454732063 -0.05095847323692679
|
||||
3.7 3.8 0.01013150208477955 -0.02558517696516635 0.03495231257624257 -0.03754505902748531
|
||||
3.8 3.9 0.007884962454997863 -0.01972106622074241 0.02368879486799702 -0.02686952809168528
|
||||
3.9 4 0.006122874253511905 -0.01578939308989356 0.01562793644049143 -0.01814617346714487
|
||||
4 4.1 0.004682068135460318 -0.01320819100580962 0.01018408440034796 -0.01025060101192634
|
||||
4.1 4.2 0.003452839277870913 -0.01147889215609782 0.007108904096770074 -0.00332241425612218
|
||||
4.2 4.3 0.002372716688972704 -0.01015678376442747 0.006112179819933414 0.007216086778595321
|
||||
4.3 4.4 0.00142537619750789 -0.00871786519708293 0.008277005853512003 0.008337385709150231
|
||||
4.4 4.5 0.0006446971220438636 -0.006812342455106011 0.01077822156625709 0.05271752808937181
|
||||
4.5 4.6 0.0001239626202852062 -0.003075172299173458 0.02659347999306858 -0.08238019029854626
|
||||
4.6 4.66866 0 -0.0002278820095161321 0.001879422903504782 0.2079185105159541 -4.436317720787516 24.95562599664778
|
||||
701
tests/DFTB/scc/czn.spl
Normal file
701
tests/DFTB/scc/czn.spl
Normal file
|
|
@ -0,0 +1,701 @@
|
|||
0.02, 600
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
20*0.0
|
||||
3*0.0 9.664426600425e-01 1.350103453614e+00 1.933418607772e-02 1.881487378685e-01 1.754387920146e+00 4.649282182258e-01 -4.180487545861e-01 3*0.0 -2.704820725755e-01 -2.719340307623e-01 5.484241499634e-01 5.396904316594e-01 -9.309784365547e-02 -2.286689672435e-01 6.727626168285e-01
|
||||
3*0.0 9.374118816400e-01 1.364292222605e+00 -1.017336358384e-02 1.794163685426e-01 1.752265371195e+00 4.813298235139e-01 -4.366841088824e-01 3*0.0 -2.762646274851e-01 -2.815375731884e-01 5.493247733134e-01 5.401280716456e-01 -9.670156514337e-02 -2.384436375455e-01 6.724149826999e-01
|
||||
3*0.0 9.052790986936e-01 1.374775890559e+00 -3.971474786435e-02 1.701350912836e-01 1.741203161860e+00 4.927644069119e-01 -4.509739417863e-01 3*0.0 -2.812809806739e-01 -2.906930430349e-01 5.501392582322e-01 5.405649756616e-01 -9.983210338509e-02 -2.479331079576e-01 6.719010383532e-01
|
||||
3*0.0 8.705795376672e-01 1.381823943760e+00 -6.902217265228e-02 1.603809412088e-01 1.722125050265e+00 4.996793550116e-01 -4.612659119201e-01 3*0.0 -2.855504987695e-01 -2.994019006234e-01 5.508493341706e-01 5.409970962441e-01 -1.024782299566e-01 -2.571375009648e-01 6.712222923795e-01
|
||||
3*0.0 8.337964219773e-01 1.385698096337e+00 -9.786006155531e-02 1.502278575748e-01 1.695950400044e+00 5.025423782983e-01 -4.679380702948e-01 3*0.0 -2.890944560099e-01 -3.076668315866e-01 5.514371252057e-01 5.414203068808e-01 -1.046339656003e-01 -2.660594034955e-01 6.703822734770e-01
|
||||
3*0.0 7.953689127613e-01 1.386650091549e+00 -1.260234048506e-01 1.397467178472e-01 1.663563734336e+00 5.018246494749e-01 -4.713820907477e-01 3*0.0 -2.919356854879e-01 -3.154916216967e-01 5.518853039244e-01 5.418304367602e-01 -1.062980385598e-01 -2.747035287208e-01 6.693862320624e-01
|
||||
3*0.0 7.557010142047e-01 1.384920672664e+00 -1.533347961920e-01 1.290048642368e-01 1.625793782034e+00 4.979866993129e-01 -4.719886893578e-01 3*0.0 -2.940982633301e-01 -3.228810384460e-01 5.521772226125e-01 5.422233029813e-01 -1.074733528060e-01 -2.830763864588e-01 6.682408492890e-01
|
||||
3*0.0 7.151603623147e-01 1.380739454719e+00 -1.796442143857e-01 1.180656354451e-01 1.583419721124e+00 4.914700557156e-01 -4.701384482532e-01 3*0.0 -2.956072251087e-01 -3.298407197215e-01 5.522970226724e-01 5.425947400582e-01 -1.081664730077e-01 -2.911859689568e-01 6.669539595386e-01
|
||||
3*0.0 6.740680856548e-01 1.374324604537e+00 -2.048285259201e-01 1.069883053975e-01 1.537176808559e+00 4.826935825187e-01 -4.661957303796e-01 3*0.0 -2.964883133218e-01 -3.363770697614e-01 5.522297235737e-01 5.429406266399e-01 -1.083871320423e-01 -2.990414568582e-01 6.655342907284e-01
|
||||
3*0.0 6.327000896527e-01 1.365882418104e+00 -2.287887510350e-01 9.582781327868e-02 1.487747614128e+00 4.720497086278e-01 -4.605035892928e-01 3*0.0 -2.967677544007e-01 -3.424971624448e-01 5.519612928844e-01 5.432569094384e-01 -1.081477657530e-01 -3.066529484996e-01 6.639912253447e-01
|
||||
3*0.0 5.913027366982e-01 1.355607147017e+00 -2.514472420950e-01 8.463466791900e-02 1.435754956699e+00 4.599000191735e-01 -4.533800278386e-01 3*0.0 -2.964720634140e-01 -3.482086518590e-01 5.514786990853e-01 5.435396244143e-01 -1.074630785602e-01 -3.140312143262e-01 6.623345839436e-01
|
||||
3*0.0 5.501015208926e-01 1.343681043302e+00 -2.727458573128e-01 7.345504527431e-02 1.381764271553e+00 4.465729580260e-01 -4.451162566957e-01 3*0.0 -2.956278744348e-01 -3.535196899910e-01 5.507699489289e-01 5.437849153102e-01 -1.063496424375e-01 -3.211874771195e-01 6.605744319083e-01
|
||||
3*0.0 5.092955159709e-01 1.330274686803e+00 -2.926438608741e-01 6.233094449700e-02 1.326287180702e+00 4.323646804368e-01 -4.359760096161e-01 3*0.0 -2.942617944095e-01 -3.584388513160e-01 5.498241111054e-01 5.439890496600e-01 -1.048255307301e-01 -3.281332178826e-01 6.587209095066e-01
|
||||
3*0.0 4.690516911928e-01 1.315547513894e+00 -3.111157013256e-01 5.130022449606e-02 1.269782490605e+00 4.175409539173e-01 -4.261954920499e-01 3*0.0 -2.924002783141e-01 -3.629750639957e-01 5.486313279267e-01 5.441484324168e-01 -1.029099873362e-01 -3.348800065906e-01 6.567840847065e-01
|
||||
3*0.0 4.295092175634e-01 1.299648323899e+00 -3.281488271516e-01 4.039695883037e-02 1.212658515145e+00 4.023379344088e-01 -4.159839727238e-01 3*0.0 -2.900695233913e-01 -3.671375473537e-01 5.471828166537e-01 5.442596173649e-01 -1.006231309425e-01 -3.414393565542e-01 6.547738277784e-01
|
||||
3*0.0 3.907884058423e-01 1.282715722805e+00 -3.437429204921e-01 2.965135723328e-02 1.155278191631e+00 3.869631240650e-01 -4.055253216273e-01 3*0.0 -2.872953803204e-01 -3.709357552628e-01 5.454708619798e-01 5.443193164826e-01 -9.798569330183e-02 -3.478226008358e-01 6.526997063945e-01
|
||||
3*0.0 3.529954140697e-01 1.264878533312e+00 -3.579087903225e-01 1.909014876127e-02 1.097963696352e+00 3.715964969301e-01 -3.949796030458e-01 3*0.0 -2.841032792783e-01 -3.743793250600e-01 5.434888010600e-01 5.443244074301e-01 -9.501878998340e-02 -3.540407889690e-01 6.505708997337e-01
|
||||
3*0.0 3.162213706257e-01 1.246255996082e+00 -3.706665199616e-01 8.736859303817e-03 1.040998490066e+00 3.563927871753e-01 -3.844846398456e-01 3*0.0 -2.805181689768e-01 -3.774780315960e-01 5.412310023420e-01 5.442719393308e-01 -9.174372160546e-02 -3.601046021402e-01 6.483961299687e-01
|
||||
3*0.0 2.805400273192e-01 1.226958143308e+00 -3.820432342612e-01 -1.388185614636e-03 9.846282042889e-01 3.414841615400e-01 -3.741573257675e-01 3*0.0 -2.765644669214e-01 -3.802417460225e-01 5.386928393206e-01 5.441591370149e-01 -8.818180327197e-02 -3.660242849740e-01 6.461836094604e-01
|
||||
3*0.0 2.460076013613e-01 1.207086642011e+00 -3.920716429565e-01 -1.126744744075e-02 9.290626540868e-01 3.269822775356e-01 -3.640952852339e-01 3*0.0 -2.722660193000e-01 -3.826803989304e-01 5.358706602099e-01 5.439834038818e-01 -8.435421976183e-02 -3.718095921011e-01 6.439410019766e-01
|
||||
3*0.0 2.126655556190e-01 1.186735498042e+00 -4.007891703289e-01 -2.088601212792e-02 8.744796353116e-01 3.129800239362e-01 -3.543785098705e-01 3*0.0 -2.676460690828e-01 -3.848039474638e-01 5.327617543998e-01 5.437423235340e-01 -8.028190394824e-02 -3.774697477647e-01 6.416753962938e-01
|
||||
3*0.0 1.805391375093e-01 1.165991469434e+00 -4.082349281855e-01 -3.023139686641e-02 8.210259534949e-01 2.995548766535e-01 -3.450706097172e-01 3*0.0 -2.627272310845e-01 -3.866223460489e-01 5.293643164504e-01 5.434336603213e-01 -7.598543593699e-02 -3.830134168256e-01 6.393932906050e-01
|
||||
3*0.0 1.496683014857e-01 1.144933961626e+00 -4.144613838260e-01 -3.929368811864e-02 7.688388638346e-01 2.867630034074e-01 -3.362250934839e-01 3*0.0 -2.575314729038e-01 -3.881455204020e-01 5.256774082708e-01 5.430553589281e-01 -7.148496048959e-02 -3.884486856466e-01 6.371005862500e-01
|
||||
3*0.0 1.200621202399e-01 1.123635765151e+00 -4.195149622954e-01 -4.806456013144e-02 7.180193232167e-01 2.746520691175e-01 -3.278798754997e-01 3*0.0 -2.520801008098e-01 -3.893833444978e-01 5.217009200331e-01 5.426055431225e-01 -6.680012042373e-02 -3.937830514648e-01 6.348025893856e-01
|
||||
3*0.0 9.172789741905e-02 1.102163557916e+00 -4.234465232454e-01 -5.653781341825e-02 6.686519933320e-01 2.632560978121e-01 -3.200629333072e-01 3*0.0 -2.463937497851e-01 -3.903456202079e-01 5.174355302879e-01 5.420825137780e-01 -6.195000384403e-02 -3.990234189949e-01 6.325040193282e-01
|
||||
3*0.0 6.466602319307e-02 1.080578251451e+00 -4.263083717165e-01 -6.470890809598e-02 6.208035460444e-01 2.525985458018e-01 -3.127928011726e-01 3*0.0 -2.404923770634e-01 -3.910420593395e-01 5.128826656690e-01 5.414847462672e-01 -5.695310323902e-02 -4.041761031330e-01 6.302090224163e-01
|
||||
3*0.0 3.887082224066e-02 1.058935345457e+00 -4.281537976810e-01 -7.257491807076e-02 5.745246505641e-01 2.426934463938e-01 -3.060796894712e-01 3*0.0 -2.343952586126e-01 -3.914822678314e-01 5.080444605158e-01 5.408108873183e-01 -5.182728467343e-02 -4.092468367562e-01 6.279211903562e-01
|
||||
3*0.0 1.433130721569e-02 1.037285318613e+00 -4.290365085715e-01 -8.013418712898e-02 5.298518364563e-01 2.335467468013e-01 -2.999268087392e-01 3*0.0 -2.281209881107e-01 -3.916757318840e-01 5.029237166760e-01 5.400597514153e-01 -4.658976550117e-02 -4.142407827322e-01 6.256435821301e-01
|
||||
3*0.0 -8.968180679067e-03 1.015673930528e+00 -4.290104178908e-01 -8.738643301214e-02 4.868091693834e-01 2.251573944005e-01 -2.943312960676e-01 3*0.0 -2.216874780478e-01 -3.916318058263e-01 4.975238637110e-01 5.392303168142e-01 -4.125709921579e-02 -4.191625493591e-01 6.233787486504e-01
|
||||
3*0.0 -3.104744510263e-02 9.941425653344e-01 -4.281290559656e-01 -9.433242983830e-02 4.454097218727e-01 2.175183204794e-01 -2.892850911005e-01 3*0.0 -2.151119626547e-01 -3.913597015401e-01 4.918489196787e-01 5.383217212410e-01 -3.584516623786e-02 -4.240162085573e-01 6.211287594502e-01
|
||||
3*0.0 -5.192992039943e-02 9.727285352346e-01 -4.264452685926e-01 -1.009739875244e-01 4.056568529833e-01 2.106173366439e-01 -2.847758896056e-01 3*0.0 -2.084110024190e-01 -3.908684792834e-01 4.859034526362e-01 5.373332573282e-01 -3.036916960830e-02 -4.288053162245e-01 6.188952307930e-01
|
||||
3*0.0 -7.164214658757e-02 9.514653524861e-01 -4.240111885932e-01 -1.073138231969e-01 3.675454399015e-01 2.044379433502e-01 -2.807877121428e-01 3*0.0 -2.016004899955e-01 -3.901670397704e-01 4.796925429752e-01 5.362643678417e-01 -2.484363471192e-02 -4.335329342468e-01 6.166793546708e-01
|
||||
3*0.0 -9.021314361445e-02 9.303830340255e-01 -4.208777428728e-01 -1.133554098447e-01 3.310630110806e-01 1.989600422866e-01 -2.773017845922e-01 3*0.0 -1.946956573544e-01 -3.892641173833e-01 4.732217466765e-01 5.351146407422e-01 -1.928241229425e-02 -4.382016537294e-01 6.144819282433e-01
|
||||
3*0.0 -1.076738943616e-01 9.095083336451e-01 -4.170947467856e-01 -1.191029204610e-01 2.961908138239e-01 1.941606498109e-01 -2.742969990491e-01 3*0.0 -1.877110840405e-01 -3.881682744051e-01 4.664970595522e-01 5.338838041227e-01 -1.369868415780e-02 -4.428136190761e-01 6.123033833379e-01
|
||||
3*0.0 -1.240569549207e-01 8.888649920294e-01 -4.127106435400e-01 -1.245611458836e-01 2.629047224751e-01 1.900143963584e-01 -2.717504973361e-01 3*0.0 -1.806607064371e-01 -3.868878961740e-01 4.595248825253e-01 5.325717210544e-01 -8.104971030841e-03 -4.473705526014e-01 6.101438156962e-01
|
||||
3*0.0 -1.393962015606e-01 8.684739452439e-01 -4.077724539565e-01 -1.297354094706e-01 2.311760186143e-01 1.864942344994e-01 -2.696381454136e-01 3*0.0 -1.735578279466e-01 -3.854311870728e-01 4.523119879835e-01 5.311783843749e-01 -2.513142193526e-03 -4.518737794086e-01 6.080030137112e-01
|
||||
3*0.0 -1.537265742801e-01 8.483535513088e-01 -4.023252650842e-01 -1.346313765000e-01 2.009720540920e-01 1.835713225989e-01 -2.679347455610e-01 3*0.0 -1.664151300086e-01 -3.838061672764e-01 4.448654872327e-01 5.297039114421e-01 3.065573475867e-03 -4.563242523093e-01 6.058804864446e-01
|
||||
3*0.0 -1.670838528558e-01 8.285197745079e-01 -3.964127916831e-01 -1.392552628929e-01 1.722569295224e-01 1.812164113156e-01 -2.666147632827e-01 3*0.0 -1.592446838850e-01 -3.820206701882e-01 4.371927990660e-01 5.281485388807e-01 8.620575306787e-03 -4.607225765993e-01 6.037754907618e-01
|
||||
3*0.0 -1.795043334532e-01 8.089864049028e-01 -3.900767549068e-01 -1.436135165807e-01 1.449920666933e-01 1.793992449332e-01 -2.656521464489e-01 3*0.0 -1.520579631471e-01 -3.800823405039e-01 4.293016194568e-01 5.265126173388e-01 1.414187771289e-02 -4.650690345326e-01 6.016870574571e-01
|
||||
3*0.0 -1.910245502606e-01 7.897652296878e-01 -3.833571365114e-01 -1.477127510605e-01 1.191368012196e-01 1.780893685404e-01 -2.650209219447e-01 3*0.0 -1.448658568011e-01 -3.779986328486e-01 4.211998923790e-01 5.247966062742e-01 1.962009631402e-02 -4.693636093696e-01 5.996140162746e-01
|
||||
3*0.0 -2.016810052670e-01 7.708661861951e-01 -3.762921754273e-01 -1.515599467772e-01 9.464887737096e-02 1.772562060990e-01 -2.646953420946e-01 3*0.0 -1.376786829908e-01 -3.757768109377e-01 4.128957817516e-01 5.230010687847e-01 2.504643344359e-02 -4.736060088928e-01 5.975550197587e-01
|
||||
3*0.0 -2.115099454548e-01 7.522975066155e-01 -3.689182978234e-01 -1.551621340606e-01 7.148490460396e-02 1.768693878941e-01 -2.646500588960e-01 3*0.0 -1.305062032161e-01 -3.734239472167e-01 4.043976445008e-01 5.211266664965e-01 3.041266315351e-02 -4.777956883081e-01 5.955085658897e-01
|
||||
3*0.0 -2.205471874696e-01 7.340658613159e-01 -3.612701774446e-01 -1.585265048063e-01 4.960073735476e-02 1.768988014689e-01 -2.648602619700e-01 3*0.0 -1.233576370066e-01 -3.709469229396e-01 3.957140047305e-01 5.191741545215e-01 3.571111580749e-02 -4.819318724643e-01 5.934730194827e-01
|
||||
3*0.0 -2.288280120877e-01 7.161765083679e-01 -3.533806819676e-01 -1.616603478975e-01 2.895177416795e-02 1.773149273849e-01 -2.653019213804e-01 3*0.0 -1.162416769876e-01 -3.683524286485e-01 3.868535289890e-01 5.171443764937e-01 4.093466233688e-02 -4.860135773398e-01 5.914466323397e-01
|
||||
3*0.0 -2.363871350674e-01 6.986334097976e-01 -3.452809344808e-01 -1.645709530286e-01 9.493200592832e-03 1.780887721040e-01 -2.659516260943e-01 3*0.0 -1.091665042787e-01 -3.656469650213e-01 3.778250026165e-01 5.150382596932e-01 4.607669822140e-02 -4.900396307581e-01 5.894275621636e-01
|
||||
3*0.0 -2.432587019972e-01 6.814393603732e-01 -3.370002989479e-01 -1.672656350365e-01 -8.819821589312e-03 1.791921843297e-01 -2.667868909614e-01 3*0.0 -1.021398041618e-01 -3.628368440545e-01 3.686373071575e-01 5.128568102638e-01 5.113112724757e-02 -4.940086923015e-01 5.874138902492e-01
|
||||
3*0.0 -2.494762626385e-01 6.645960768678e-01 -3.285664029655e-01 -1.697516710465e-01 -2.603198340501e-02 1.805978506007e-01 -2.677861339531e-01 3*0.0 -9.516878195804e-02 -3.599281905532e-01 3.592993988199e-01 5.106011085321e-01 5.609234509177e-02 -4.979192724059e-01 5.854036379769e-01
|
||||
3*0.0 -2.550727026456e-01 6.481043080381e-01 -3.200051838652e-01 -1.720363725001e-01 -4.218764068317e-02 1.822793898431e-01 -2.689286963585e-01 3*0.0 -8.826017905388e-02 -3.569269438993e-01 3.498202879626e-01 5.082723044313e-01 6.095522277009e-02 -5.017697506244e-01 5.833947821424e-01
|
||||
3*0.0 -2.600801078033e-01 6.319639176902e-01 -3.113409628048e-01 -1.741269392040e-01 -5.733061107179e-02 1.842115205461e-01 -2.701949855493e-01 3*0.0 -8.142028901665e-02 -3.538388600739e-01 3.402090195893e-01 5.058716130347e-01 6.571508999422e-02 -5.055583930532e-01 5.813852691586e-01
|
||||
3*0.0 -2.645296142499e-01 6.161739904601e-01 -3.025964007387e-01 -1.760304807393e-01 -7.150397833542e-02 1.863697012353e-01 -2.715663175250e-01 3*0.0 -7.465497374307e-02 -3.506695139087e-01 3.304746548293e-01 5.034003102024e-01 7.036771847071e-02 -5.092833689210e-01 5.793730281726e-01
|
||||
3*0.0 -2.684512962083e-01 6.007328970060e-01 -2.937928427339e-01 -1.777540801165e-01 -8.474991542129e-02 1.887307461031e-01 -2.730251245141e-01 3*0.0 -6.796967958546e-02 -3.474243015436e-01 3.206262533821e-01 5.008597283428e-01 7.490930517954e-02 -5.129427663472e-01 5.773559831401e-01
|
||||
3*0.0 -2.718740952777e-01 5.856383934262e-01 -2.849500473194e-01 -1.793046828495e-01 -9.710958787527e-02 1.912723109492e-01 -2.745548183620e-01 3*0.0 -6.136945340372e-02 -3.441084430695e-01 3.106728569039e-01 4.982512522924e-01 7.933645566711e-02 -5.165346072747e-01 5.753320639051e-01
|
||||
3*0.0 -2.748258385627e-01 5.708876713042e-01 -2.760864758136e-01 -1.806889858801e-01 -1.086230732374e-01 1.939731609433e-01 -2.761398029861e-01 3*0.0 -5.485895849365e-02 -3.407269853355e-01 3.006234733117e-01 4.955763153144e-01 8.364616738805e-02 -5.200568615926e-01 5.732992163303e-01
|
||||
3*0.0 -2.773332837361e-01 5.564774112765e-01 -2.672192519238e-01 -1.819137658082e-01 -1.193293553668e-01 1.968131246947e-01 -2.777655258226e-01 3*0.0 -4.844249034558e-02 -3.372848049015e-01 2.904870619829e-01 4.928363952169e-01 8.783581312982e-02 -5.235074604597e-01 5.712554115259e-01
|
||||
3*0.0 -2.794221796212e-01 5.424038457387e-01 -2.583641876590e-01 -1.829855092848e-01 -1.292663069658e-01 1.997730924871e-01 -2.794184067700e-01 3*0.0 -4.212399219087e-02 -3.337866111174e-01 2.802725198250e-01 4.900330105923e-01 9.190312455308e-02 -5.268843088472e-01 5.691986542238e-01
|
||||
3*0.0 -2.811173192899e-01 5.286628103746e-01 -2.495359610117e-01 -1.839106302048e-01 -1.384706895108e-01 2.028349197584e-01 -2.810857756768e-01 3*0.0 -3.590707029733e-02 -3.302369493129e-01 2.699886681914e-01 4.871677171774e-01 9.584617588035e-02 -5.301852973186e-01 5.671269903442e-01
|
||||
3*0.0 -2.824425440804e-01 5.152497975916e-01 -2.407478748247e-01 -1.846953338851e-01 -1.469781296260e-01 2.059816282422e-01 -2.827559282622e-01 3*0.0 -2.979500897854e-02 -3.266402040802e-01 2.596442406188e-01 4.842421043334e-01 9.966336776450e-02 -5.334083130649e-01 5.650385137989e-01
|
||||
3*0.0 -2.834207672565e-01 5.021599971969e-01 -2.320123381614e-01 -1.853457396238e-01 -1.548230969682e-01 2.091972507320e-01 -2.844180800276e-01 3*0.0 -2.379078528559e-02 -3.230006026353e-01 2.492478713617e-01 4.812577916476e-01 1.033534113671e-01 -5.365512502182e-01 5.629313725765e-01
|
||||
3*0.0 -2.840739528864e-01 4.893883656622e-01 -2.233404649617e-01 -1.858677228783e-01 -1.620388923360e-01 2.124666791491e-01 -2.860622258500e-01 3*0.0 -1.789708335388e-02 -3.193222182431e-01 2.388080846980e-01 4.782164256529e-01 1.069153126759e-01 -5.396120194629e-01 5.608037741523e-01
|
||||
3*0.0 -2.844231290497e-01 4.769296348294e-01 -2.147425357334e-01 -1.862670283401e-01 -1.686576193212e-01 2.157759093130e-01 -2.876791867054e-01 3*0.0 -1.211630838119e-02 -3.156089736935e-01 2.283332849820e-01 4.751196766669e-01 1.103483570888e-01 -5.425885569688e-01 5.586539902641e-01
|
||||
3*0.0 -2.844883938662e-01 4.647783708552e-01 -2.062278003713e-01 -1.865492625321e-01 -1.747101929270e-01 2.191117916280e-01 -2.892605895175e-01 3*0.0 -6.450600216770e-03 -3.118646448138e-01 2.178317474193e-01 4.719692357476e-01 1.136520942894e-01 -5.454788326675e-01 5.564803610934e-01
|
||||
3*0.0 -2.842889292549e-01 4.529289899132e-01 -1.978046224098e-01 -1.867197691773e-01 -1.802263430190e-01 2.224620664538e-01 -2.907987656115e-01 3*0.0 -9.018465452193e-04 -3.080928640090e-01 2.073116095383e-01 4.687668117658e-01 1.168263234395e-01 -5.482808578954e-01 5.542812988914e-01
|
||||
3*0.0 -2.838430275257e-01 4.413757905703e-01 -1.894806061983e-01 -1.867839179605e-01 -1.852346142719e-01 2.258153600077e-01 -2.922868211939e-01 3*0.0 4.528304348369e-03 -3.042971238157e-01 1.967808633342e-01 4.655141285912e-01 1.198710787085e-01 -5.509926924271e-01 5.520552910838e-01
|
||||
3*0.0 -2.828423970430e-01 4.300978055704e-01 -1.813578982342e-01 -1.867453931867e-01 -1.896457398045e-01 2.291246577923e-01 -2.936846924505e-01 3*0.0 9.838431241670e-03 -3.004807804620e-01 1.862473480609e-01 4.622129223909e-01 1.227866151611e-01 -5.536124509220e-01 5.498009028923e-01
|
||||
3*0.0 -2.819544736554e-01 4.191205049035e-01 -1.732558703277e-01 -1.866117903997e-01 -1.937158197792e-01 2.324499481765e-01 -2.950522356969e-01 3*0.0 1.502732807391e-02 -2.966470574222e-01 1.757187436458e-01 4.588649390403e-01 1.255733950193e-01 -5.561383088077e-01 5.475167795025e-01
|
||||
3*0.0 -2.808721220465e-01 4.084219090754e-01 -1.652704349942e-01 -1.863864896488e-01 -1.973578024703e-01 2.357491701297e-01 -2.963533020885e-01 3*0.0 2.009399248411e-02 -2.927990489591e-01 1.652025647040e-01 4.554719316407e-01 1.282320743165e-01 -5.585685076227e-01 5.452016478124e-01
|
||||
3*0.0 -2.796102118481e-01 3.979960511266e-01 -1.574062087794e-01 -1.860741432253e-01 -2.005957424239e-01 2.390142450584e-01 -2.975836200016e-01 3*0.0 2.503761479049e-02 -2.889397236458e-01 1.547061551277e-01 4.520356581457e-01 1.307634899539e-01 -5.609013598418e-01 5.428543177891e-01
|
||||
3*0.0 -2.781827968709e-01 3.878369627974e-01 -1.496669278833e-01 -1.856791144493e-01 -2.034526286953e-01 2.422374427313e-01 -2.987393520875e-01 3*0.0 2.985756741003e-02 -2.850719278589e-01 1.442366832284e-01 4.485578790913e-01 1.331686471726e-01 -5.631352532073e-01 5.404736834633e-01
|
||||
3*0.0 -2.766031533253e-01 3.779386814539e-01 -1.420557844530e-01 -1.852056029263e-01 -2.059503852008e-01 2.454118544241e-01 -2.998171958140e-01 3*0.0 3.455339471533e-02 -2.811983892381e-01 1.338011374070e-01 4.450403554287e-01 1.354487074498e-01 -5.652686545874e-01 5.380587235873e-01
|
||||
3*0.0 -2.748837898957e-01 3.682952404025e-01 -1.345755878382e-01 -1.846579172875e-01 -2.081099156861e-01 2.485312841537e-01 -3.008143842280e-01 3*0.0 3.912480332361e-02 -2.773217201055e-01 1.234063223305e-01 4.414848464579e-01 1.376049768249e-01 -5.673001133839e-01 5.356085019824e-01
|
||||
3*0.0 -2.730364757588e-01 3.589007400932e-01 -1.272284982913e-01 -1.840397967925e-01 -2.099511228637e-01 2.515898383320e-01 -3.017284544500e-01 3*0.0 4.357165281145e-02 -2.734444208398e-01 1.130588555936e-01 4.378931078586e-01 1.396388946611e-01 -5.692282645118e-01 5.331221675985e-01
|
||||
3*0.0 -2.710722596548e-01 3.497493028366e-01 -1.200163354589e-01 -1.833551214750e-01 -2.114929634895e-01 2.545823592035e-01 -3.025574395743e-01 3*0.0 4.789394684683e-02 -2.695688832005e-01 1.027651648416e-01 4.342668898176e-01 1.415520228461e-01 -5.710518309702e-01 5.305989543099e-01
|
||||
3*0.0 -2.690014995869e-01 3.408351097030e-01 -1.129405292316e-01 -1.826075187820e-01 -2.127534668155e-01 2.575041708866e-01 -3.032997392354e-01 3*0.0 5.209182472929e-02 -2.656973935990e-01 9.253148533548e-02 4.306079352486e-01 1.433460354305e-01 -5.727696260265e-01 5.280381804665e-01
|
||||
3*0.0 -2.668338960345e-01 3.321524073972e-01 -1.060021902849e-01 -1.818005653381e-01 -2.137497703087e-01 2.603510942776e-01 -3.039541392382e-01 3*0.0 5.616555332732e-02 -2.618321363118e-01 8.236385793620e-02 4.269179781035e-01 1.450227087067e-01 -5.743805550334e-01 5.254392482224e-01
|
||||
3*0.0 -2.645785184302e-01 3.236955122269e-01 -9.920208265537e-02 -1.809375487850e-01 -2.144981573656e-01 2.631194100060e-01 -3.045197010171e-01 3*0.0 6.011551940172e-02 -2.579751966341e-01 7.226812749062e-02 4.231987417722e-01 1.465839117226e-01 -5.758836168984e-01 5.228016426587e-01
|
||||
3*0.0 -2.622438453059e-01 3.154588203975e-01 -9.254074652177e-02 -1.800217499990e-01 -2.150140801171e-01 2.658058685238e-01 -3.049958518793e-01 3*0.0 6.394222230244e-02 -2.541285639706e-01 6.224994159705e-02 4.194519375683e-01 1.480315972286e-01 -5.772779052243e-01 5.201249307199e-01
|
||||
3*0.0 -2.598377948078e-01 3.074368077637e-01 -8.601847858410e-02 -1.790563098717e-01 -2.153122014666e-01 2.684075939706e-01 -3.053822630561e-01 3*0.0 6.764626702620e-02 -2.502941348613e-01 5.231474973259e-02 4.156792632986e-01 1.493677930523e-01 -5.785626091410e-01 5.174087599799e-01
|
||||
3*0.0 -2.573677620758e-01 2.996240446363e-01 -7.963523838686e-02 -1.780441687963e-01 -2.154064263188e-01 2.709221086811e-01 -3.056788719826e-01 3*0.0 7.122835762135e-02 -2.464737159420e-01 4.246780272330e-02 4.118824019136e-01 1.505945938939e-01 -5.797370138436e-01 5.146528572529e-01
|
||||
3*0.0 -2.548406563782e-01 2.920151969631e-01 -7.339084481852e-02 -1.769881771257e-01 -2.153099328166e-01 2.733472214359e-01 -3.058858260700e-01 3*0.0 7.468929092656e-02 -2.426690268354e-01 3.271415253919e-02 4.080630202374e-01 1.517141535358e-01 -5.808005008573e-01 5.118570270645e-01
|
||||
3*0.0 -2.522629322816e-01 2.846050233375e-01 -6.728485848943e-02 -1.758910299799e-01 -2.150352042282e-01 2.756811142129e-01 -3.060034714358e-01 3*0.0 7.802995062914e-02 -2.388817029758e-01 2.305865239666e-02 4.042227677735e-01 1.527286774572e-01 -5.817525480437e-01 5.090211499974e-01
|
||||
3*0.0 -2.496406174474e-01 2.773883832582e-01 -6.131667149649e-02 -1.747553915790e-01 -2.145940584711e-01 2.779222613804e-01 -3.060324214551e-01 3*0.0 8.125130162938e-02 -2.351132983624e-01 1.350595715133e-02 4.003632755855e-01 1.536404158454e-01 -5.825927293660e-01 5.061451809233e-01
|
||||
3*0.0 -2.469793441767e-01 2.703602366314e-01 -5.548546112286e-02 -1.735838011964e-01 -2.139976905361e-01 2.800694178759e-01 -3.059733891184e-01 3*0.0 8.435438469670e-02 -2.313652882453e-01 4.060523965074e-03 3.964861552484e-01 1.544516569926e-01 -5.833207144278e-01 5.032291471349e-01
|
||||
3*0.0 -2.442843706462e-01 2.635156525329e-01 -4.979023914182e-02 -1.723785864911e-01 -2.132566871006e-01 2.821215604743e-01 -3.058272444936e-01 3*0.0 8.734031140395e-02 -2.276390717401e-01 -5.273386768716e-03 3.925929978706e-01 1.551647210686e-01 -5.839362678021e-01 5.002731463887e-01
|
||||
3*0.0 -2.415606056690e-01 2.568498027876e-01 -4.422986041773e-02 -1.711420984258e-01 -2.123810642149e-01 2.840779305724e-01 -3.055950343781e-01 3*0.0 9.021025932599e-02 -2.239359743742e-01 -1.449171025679e-02 3.886853731824e-01 1.557819542574e-01 -5.844392481633e-01 4.972773448693e-01
|
||||
3*0.0 -2.388126278705e-01 2.503579664460e-01 -3.880301875262e-02 -1.698764931715e-01 -2.113802937643e-01 2.859379717747e-01 -3.052779135715e-01 3*0.0 9.296546748937e-02 -2.202572505634e-01 -2.359057590942e-02 3.847648286895e-01 1.563057232474e-01 -5.848296072376e-01 4.942419750864e-01
|
||||
3*0.0 -2.360447100740e-01 2.440355286963e-01 -3.350828629318e-02 -1.685838711066e-01 -2.102633331279e-01 2.877013364620e-01 -3.048771624107e-01 3*0.0 9.560723205974e-02 -2.166040860207e-01 -3.256630572963e-02 3.808328888892e-01 1.567384100609e-01 -5.851073885850e-01 4.911673337132e-01
|
||||
3*0.0 -2.332608401170e-01 2.378779812773e-01 -2.834412610414e-02 -1.672662633170e-01 -2.090386494126e-01 2.893679062072e-01 -3.043941756444e-01 3*0.0 9.813690225439e-02 -2.129776000968e-01 -4.141541250207e-02 3.768910545475e-01 1.570824072140e-01 -5.852727262253e-01 4.880537793750e-01
|
||||
3*0.0 -2.304647378928e-01 2.318809253267e-01 -2.330883831966e-02 -1.659255496481e-01 -2.077142491289e-01 2.909377125928e-01 -3.038304377609e-01 3*0.0 1.005558764674e-01 -2.093788480542e-01 -5.013459779460e-02 3.729408020336e-01 1.573401131906e-01 -5.853258431212e-01 4.849017303979e-01
|
||||
3*0.0 -2.276598806722e-01 2.260400668979e-01 -1.840070285941e-02 -1.645635398151e-01 -2.062977030746e-01 2.924109378486e-01 -3.031875137096e-01 3*0.0 1.028655985957e-01 -2.058088232750e-01 -5.872074978534e-02 3.689835827123e-01 1.575139282221e-01 -5.852670495299e-01 4.817116625233e-01
|
||||
3*0.0 -2.248495115316e-01 2.203512070098e-01 -1.361788101432e-02 -1.631820289557e-01 -2.047961723949e-01 2.937880443776e-01 -3.024670833952e-01 3*0.0 1.050675545538e-01 -2.022684594049e-01 -6.717094092729e-02 3.650208223884e-01 1.576062503569e-01 -5.850967412350e-01 4.784841065981e-01
|
||||
3*0.0 -2.220366619611e-01 2.148102586030e-01 -8.958412571407e-03 -1.617826879029e-01 -2.032164289573e-01 2.950695794023e-01 -3.016708895607e-01 3*0.0 1.071632689676e-01 -1.987586324322e-01 -7.548242546234e-02 3.610539208054e-01 1.576194718094e-01 -5.848153976700e-01 4.752196462452e-01
|
||||
3*0.0 -2.192241617434e-01 2.094132394511e-01 -4.420318745781e-03 -1.603670959409e-01 -2.015648681766e-01 2.962561718251e-01 -3.008007467186e-01 3*0.0 1.091543020351e-01 -1.952801627067e-01 -8.365263679587e-02 3.570842511931e-01 1.575559755746e-01 -5.844235799421e-01 4.719189155223e-01
|
||||
3*0.0 -2.164146493300e-01 2.041562647017e-01 -1.515026388612e-06 -1.589366865397e-01 -1.998475420585e-01 2.973486394169e-01 -2.998584624110e-01 3*0.0 1.110422465450e-01 -1.918338168959e-01 -9.167918474262e-02 3.531131598636e-01 1.574181322977e-01 -5.839219287684e-01 4.685825965750e-01
|
||||
3*0.0 -2.136105813173e-01 1.990355472541e-01 4.300119124762e-03 -1.574930243711e-01 -1.980701626912e-01 2.983479441090e-01 -2.988460139737e-01 3*0.0 1.128287250432e-01 -1.884203098831e-01 -9.955985265447e-02 3.491419658542e-01 1.572082973848e-01 -5.833111623330e-01 4.652114172884e-01
|
||||
3*0.0 -2.108142399742e-01 1.940473991010e-01 8.486724738763e-03 -1.560373574306e-01 -1.962381188655e-01 2.992551800823e-01 -2.977653027139e-01 3*0.0 1.145153871385e-01 -1.850403066069e-01 -1.072925944398e-01 3.451719606139e-01 1.569288083441e-01 -5.825920740736e-01 4.618061489449e-01
|
||||
3*0.0 -2.080277389040e-01 1.891882257781e-01 1.256049174736e-02 -1.545711093562e-01 -1.943565002727e-01 3.000715110994e-01 -2.966183493807e-01 3*0.0 1.161039069392e-01 -1.816944238448e-01 -1.148755314839e-01 3.412044077338e-01 1.565819823454e-01 -5.817655304071e-01 4.583676038902e-01
|
||||
3*0.0 -2.052530258821e-01 1.844545371977e-01 1.652370900062e-02 -1.530954447930e-01 -1.924301079724e-01 3.007980482433e-01 -2.954071168889e-01 3*0.0 1.175959806108e-01 -1.783832319415e-01 -1.223069494800e-01 3.372405427169e-01 1.561701139869e-01 -5.808324684015e-01 4.548966332149e-01
|
||||
3*0.0 -2.024918952931e-01 1.798429231813e-01 2.037858285285e-02 -1.516115357612e-01 -1.904634566636e-01 3.014361944828e-01 -2.941336401060e-01 3*0.0 1.189933240503e-01 -1.751072564841e-01 -1.295852951793e-01 3.332815727887e-01 1.556954732576e-01 -5.797938934034e-01 4.513941244540e-01
|
||||
3*0.0 -1.997459908600e-01 1.753500751442e-01 2.412736561112e-02 -1.501205322731e-01 -1.884607973373e-01 3.019873052792e-01 -2.927999673052e-01 3*0.0 1.202976706673e-01 -1.718669799256e-01 -1.367091730679e-01 3.293286767439e-01 1.551603036854e-01 -5.786508766258e-01 4.478609993085e-01
|
||||
3*0.0 -1.970168082939e-01 1.709727589897e-01 2.777226706372e-02 -1.486235772923e-01 -1.864261321059e-01 3.024528999492e-01 -2.914081374590e-01 3*0.0 1.215107692664e-01 -1.686628431573e-01 -1.436773419799e-01 3.253830048303e-01 1.545668206599e-01 -5.774045527062e-01 4.442982113936e-01
|
||||
3*0.0 -1.943057065761e-01 1.667078513957e-01 3.131555062742e-02 -1.471215598236e-01 -1.843632166512e-01 3.028343079101e-01 -2.899601474173e-01 3*0.0 1.226343820249e-01 -1.654952470337e-01 -1.504887116526e-01 3.214456786656e-01 1.539172099202e-01 -5.760561172391e-01 4.407067440156e-01
|
||||
3*0.0 -1.916139095495e-01 1.625522974765e-01 3.475939143354e-02 -1.456154515748e-01 -1.822755715814e-01 3.031331702656e-01 -2.884580332068e-01 3*0.0 1.236702825600e-01 -1.623645538490e-01 -1.571423392332e-01 3.175177911884e-01 1.532136261975e-01 -5.746068242912e-01 4.370876079819e-01
|
||||
3*0.0 -1.889425121842e-01 1.585031263055e-01 3.810595439793e-02 -1.441062444588e-01 -1.801665150123e-01 3.033509907272e-01 -2.869038184329e-01 3*0.0 1.246202540792e-01 -1.592710887686e-01 -1.636374257413e-01 3.136004066393e-01 1.524581920039e-01 -5.730579839032e-01 4.334418394453e-01
|
||||
3*0.0 -1.862924892031e-01 1.545574564526e-01 4.135736513521e-02 -1.425947690050e-01 -1.780391439937e-01 3.034892610962e-01 -2.852994517291e-01 3*0.0 1.254860876111e-01 -1.562151412155e-01 -1.699733124968e-01 3.096945605725e-01 1.516529965579e-01 -5.714109595857e-01 4.297704977868e-01
|
||||
3*0.0 -1.836647031807e-01 1.507124795491e-01 4.451563520741e-02 -1.410818555277e-01 -1.758963512191e-01 3.035497254087e-01 -2.836469537445e-01 3*0.0 1.262695803089e-01 -1.531969662144e-01 -1.761494775171e-01 3.058012598956e-01 1.508000948381e-01 -5.696671658121e-01 4.260746635373e-01
|
||||
3*0.0 -1.810599049932e-01 1.469654743452e-01 4.758284968192e-02 -1.395682676869e-01 -1.737408605868e-01 3.035338238584e-01 -2.819482099619e-01 3*0.0 1.269725338263e-01 -1.502167856943e-01 -1.821655318908e-01 3.019214829363e-01 1.499015067575e-01 -5.678280655165e-01 4.223554363430e-01
|
||||
3*0.0 -1.784787473478e-01 1.433137918464e-01 5.056094811187e-02 -1.380547229662e-01 -1.715752014046e-01 3.034431836649e-01 -2.802051451848e-01 3*0.0 1.275967527585e-01 -1.472747897503e-01 -1.880212161337e-01 2.980561795348e-01 1.489592164489e-01 -5.658951675977e-01 4.186139329730e-01
|
||||
3*0.0 -1.759217893256e-01 1.397548487039e-01 5.345178560869e-02 -1.365419597369e-01 -1.694017450661e-01 3.032794717322e-01 -2.784196571494e-01 3*0.0 1.281440431461e-01 -1.443711378676e-01 -1.937163965323e-01 2.942062711607e-01 1.479751716566e-01 -5.638700244365e-01 4.148512853739e-01
|
||||
3*0.0 -1.733895089169e-01 1.362861541894e-01 5.625725597831e-02 -1.350306230263e-01 -1.672226976389e-01 3.030441988772e-01 -2.765935614322e-01 3*0.0 1.286162110402e-01 -1.415059601068e-01 -1.992510614797e-01 2.903726510530e-01 1.469512832243e-01 -5.617542294285e-01 4.110686387705e-01
|
||||
3*0.0 -1.708823017803e-01 1.329052676947e-01 5.897911488297e-02 -1.335213815102e-01 -1.650401291057e-01 3.027389787919e-01 -2.747286893801e-01 3*0.0 1.290150611222e-01 -1.386793582542e-01 -2.046253178096e-01 2.865561843819e-01 1.458894246752e-01 -5.595494145372e-01 4.072671498157e-01
|
||||
3*0.0 -1.684005009935e-01 1.296098342787e-01 6.161909827840e-02 -1.320147874516e-01 -1.628559558761e-01 3.023654143615e-01 -2.728268101403e-01 3*0.0 1.293423953795e-01 -1.358914069359e-01 -2.098393871328e-01 2.827577084313e-01 1.447914318753e-01 -5.572572478701e-01 4.034479847898e-01
|
||||
3*0.0 -1.659443755920e-01 1.263975637304e-01 6.417891153684e-02 -1.305113427473e-01 -1.606719761857e-01 3.019249570667e-01 -2.708896427264e-01 3*0.0 1.296000118320e-01 -1.331421546988e-01 -2.148936021799e-01 2.789780328012e-01 1.436591027763e-01 -5.548794312815e-01 3.996123178495e-01
|
||||
3*0.0 -1.635141440762e-01 1.232662160419e-01 6.666012791968e-02 -1.290117512808e-01 -1.584898640827e-01 3.014193480275e-01 -2.689189380420e-01 3*0.0 1.297897033078e-01 -1.304316250586e-01 -2.197884031560e-01 2.752179396279e-01 1.424941972305e-01 -5.524176980052e-01 3.957613293295e-01
|
||||
3*0.0 -1.611099763818e-01 1.202136407863e-01 6.906439814849e-02 -1.275163339739e-01 -1.563111799552e-01 3.008499538059e-01 -2.669163070728e-01 3*0.0 1.299132562669e-01 -1.277598175161e-01 -2.245243341100e-01 2.714781838228e-01 1.412984368733e-01 -5.498738103190e-01 3.918962040953e-01
|
||||
3*0.0 -1.587320050427e-01 1.172377271310e-01 7.139322880535e-02 -1.260256850757e-01 -1.541373805170e-01 3.002184403811e-01 -2.648834311520e-01 3*0.0 1.299724496706e-01 -1.251267085427e-01 -2.291020393225e-01 2.677594933258e-01 1.400735050671e-01 -5.472495572442e-01 3.880181299483e-01
|
||||
3*0.0 -1.563803261039e-01 1.143364359641e-01 7.364813114621e-02 -1.245402383283e-01 -1.519698229046e-01 2.995262800686e-01 -2.628219068451e-01 3*0.0 1.299690538938e-01 -1.225322525371e-01 -2.335222597173e-01 2.640625693760e-01 1.388210469041e-01 -5.445467522831e-01 3.841282960849e-01
|
||||
3*0.0 -1.540550065363e-01 1.115077879110e-01 7.583062047126e-02 -1.230603653257e-01 -1.498097738922e-01 2.987749846443e-01 -2.607332824818e-01 3*0.0 1.299048296811e-01 -1.199763827523e-01 -2.377858292973e-01 2.603880867952e-01 1.375426692600e-01 -5.417672311944e-01 3.802278916077e-01
|
||||
3*0.0 -1.517560849919e-01 1.087498495084e-01 7.794210945893e-02 -1.215865476374e-01 -1.476584159272e-01 2.979660998950e-01 -2.586191235898e-01 3*0.0 1.297815271430e-01 -1.174590121960e-01 -2.418936716107e-01 2.567366942862e-01 1.362399408978e-01 -5.389128498112e-01 3.763181040904e-01
|
||||
3*0.0 -1.494835787252e-01 1.060607588122e-01 7.998405072404e-02 -1.201190693760e-01 -1.455168422306e-01 2.971010836947e-01 -2.564809231947e-01 3*0.0 1.296008847926e-01 -1.149800345032e-01 -2.458467962482e-01 2.531090147421e-01 1.349143926152e-01 -5.359854819011e-01 3.724001181963e-01
|
||||
3*0.0 -1.472374826024e-01 1.034386913930e-01 8.195786004704e-02 -1.186584017476e-01 -1.433860844793e-01 2.961814410388e-01 -2.543201583689e-01 3*0.0 1.293646286209e-01 -1.125393247836e-01 -2.496462953764e-01 2.495056455690e-01 1.335675174333e-01 -5.329870170715e-01 3.684751143504e-01
|
||||
3*0.0 -1.450177717379e-01 1.008818856039e-01 8.386490242512e-02 -1.172047777148e-01 -1.412670890890e-01 2.952086691599e-01 -2.521382803639e-01 3*0.0 1.290744712099e-01 -1.101367404437e-01 -2.532933403070e-01 2.459271590183e-01 1.322007708224e-01 -5.299193587205e-01 3.645442674634e-01
|
||||
3*0.0 -1.428244055493e-01 9.838862578920e-02 8.570658027343e-02 -1.157586097191e-01 -1.391607442007e-01 2.941842390991e-01 -2.499367065995e-01 3*0.0 1.287321108827e-01 -1.077721219844e-01 -2.567891781072e-01 2.423741025295e-01 1.308155709621e-01 -5.267844220351e-01 3.606087457107e-01
|
||||
3*0.0 -1.406573239940e-01 9.595724479566e-02 8.748422911979e-02 -1.143201386505e-01 -1.370678718685e-01 2.931096103915e-01 -2.477168319661e-01 3*0.0 1.283392308895e-01 -1.054452937755e-01 -2.601351282521e-01 2.388469990822e-01 1.294132990320e-01 -5.235841320379e-01 3.566697093620e-01
|
||||
3*0.0 -1.385164544946e-01 9.358612763975e-02 8.919919734936e-02 -1.128896272521e-01 -1.349892317435e-01 2.919862164332e-01 -2.454800005711e-01 3*0.0 1.278974986297e-01 -1.031560648066e-01 -2.633325793213e-01 2.353463475565e-01 1.279952995311e-01 -5.203204216829e-01 3.527283096645e-01
|
||||
3*0.0 -1.364017086976e-01 9.127369697615e-02 9.085280046770e-02 -1.114674160091e-01 -1.329255317176e-01 2.908155359725e-01 -2.432275469230e-01 3*0.0 1.274085649074e-01 -1.009042294166e-01 -2.663829857418e-01 2.318726231014e-01 1.265628806219e-01 -5.169952300011e-01 3.487856877773e-01
|
||||
3*0.0 -1.343129853812e-01 8.901842906902e-02 9.244634490828e-02 -1.100536634255e-01 -1.308774214729e-01 2.895989882077e-01 -2.409607695997e-01 3*0.0 1.268740632223e-01 -9.868956800136e-02 -2.692878645797e-01 2.284262775100e-01 1.251173144988e-01 -5.136105002976e-01 3.448429737570e-01
|
||||
3*0.0 -1.322501717428e-01 8.681883443720e-02 9.398110631494e-02 -1.086487124345e-01 -1.288455055169e-01 2.883380141534e-01 -2.386809485871e-01 3*0.0 1.262956090935e-01 -9.651184770043e-02 -2.720487923813e-01 2.250077396010e-01 1.236598377758e-01 -5.101681783993e-01 3.409012855938e-01
|
||||
3*0.0 -1.302131417595e-01 8.467347641213e-02 9.545835172132e-02 -1.072526683835e-01 -1.268303359396e-01 2.870339695196e-01 -2.363893034613e-01 3*0.0 1.256747994160e-01 -9.437082306373e-02 -2.746674020660e-01 2.216174156065e-01 1.221916518939e-01 -5.066702109546e-01 3.369617282982e-01
|
||||
3*0.0 -1.282017594134e-01 8.258094424111e-02 9.687931229808e-02 -1.058658155802e-01 -1.248324258912e-01 2.856883460683e-01 -2.340870609589e-01 3*0.0 1.250132118501e-01 -9.226623669842e-02 -2.771453798718e-01 2.182556895640e-01 1.207139235446e-01 -5.031185437851e-01 3.330253930356e-01
|
||||
3*0.0 -1.262158798947e-01 8.053988459586e-02 9.824521016850e-02 -1.044883030895e-01 -1.228522390726e-01 2.843024066605e-01 -2.317753824711e-01 3*0.0 1.243124042429e-01 -9.019781989661e-02 -2.794844623559e-01 2.149229237139e-01 1.192277851089e-01 -4.995151202897e-01 3.290933563106e-01
|
||||
3*0.0 -1.242553446563e-01 7.854896530430e-02 9.955719440020e-02 -1.031203243448e-01 -1.208902042853e-01 2.828775638377e-01 -2.294554340297e-01 3*0.0 1.235739140806e-01 -8.816529324452e-02 -2.816864334498e-01 2.116194589003e-01 1.177343351083e-01 -4.958618799010e-01 3.251666791983e-01
|
||||
3*0.0 -1.223199928562e-01 7.660690397386e-02 1.008164734974e-01 -1.017620335832e-01 -1.189467114283e-01 2.814151640405e-01 -2.271282966438e-01 3*0.0 1.227992579722e-01 -8.616836721356e-02 -2.837531215715e-01 2.083456149752e-01 1.162346386686e-01 -4.921607565944e-01 3.212464066219e-01
|
||||
3*0.0 -1.204096474043e-01 7.471244354204e-02 1.020241162007e-01 -1.004136340193e-01 -1.170221133792e-01 2.799165134190e-01 -2.247950952242e-01 3*0.0 1.219899311647e-01 -8.420674273366e-02 -2.856863967948e-01 2.051016912059e-01 1.147297279932e-01 -4.884136774490e-01 3.173335666774e-01
|
||||
3*0.0 -1.185241274295e-01 7.286437137613e-02 1.031812324914e-01 -9.907520228924e-02 -1.151167255453e-01 2.783829145106e-01 -2.224568382027e-01 3*0.0 1.211474070868e-01 -8.228011174963e-02 -2.874881680774e-01 2.018879666845e-01 1.132206028454e-01 -4.846225612612e-01 3.134291700016e-01
|
||||
3*0.0 -1.166632419985e-01 7.106150343772e-02 1.042888896966e-01 -9.774689429592e-02 -1.132308389087e-01 2.768156030143e-01 -2.201145554384e-01 3*0.0 1.202731369237e-01 -8.038815776060e-02 -2.891603805475e-01 1.987047007389e-01 1.117082310383e-01 -4.807893172104e-01 3.095342091853e-01
|
||||
3*0.0 -1.148267929995e-01 6.930268888127e-02 1.053480842862e-01 -9.642884708563e-02 -1.113647042249e-01 2.752158712425e-01 -2.177692441243e-01 3*0.0 1.193685492208e-01 -7.853055634333e-02 -2.907050128505e-01 1.955521333464e-01 1.101935489309e-01 -4.769158435759e-01 3.056496582291e-01
|
||||
3*0.0 -1.130145728109e-01 6.758681071375e-02 1.063598249823e-01 -9.512113995146e-02 -1.095185492538e-01 2.735848845163e-01 -2.154218280771e-01 3*0.0 1.184350495161e-01 -7.670697565951e-02 -2.921240745558e-01 1.924304855466e-01 1.086774619304e-01 -4.730040265058e-01 3.017764720404e-01
|
||||
3*0.0 -1.112263675139e-01 6.591277861127e-02 1.073250471057e-01 -9.382394929714e-02 -1.076925677672e-01 2.719239226261e-01 -2.130732667795e-01 3*0.0 1.174740200018e-01 -7.491707694768e-02 -2.934196036244e-01 1.893399598561e-01 1.071608449982e-01 -4.690557388366e-01 2.979155859727e-01
|
||||
3*0.0 -1.094619554982e-01 6.427953811371e-02 1.082446649857e-01 -9.253728725495e-02 -1.058869303370e-01 2.702340964314e-01 -2.107244147584e-01 3*0.0 1.164868192128e-01 -7.316051499994e-02 -2.945936639370e-01 1.862807406827e-01 1.056445431598e-01 -4.650728389629e-01 2.940679154034e-01
|
||||
3*0.0 -1.077211067525e-01 6.268606179832e-02 1.091195751968e-01 -9.126128977378e-02 -1.041017809176e-01 2.685165135714e-01 -2.083761451079e-01 3*0.0 1.154747817436e-01 -7.143693862394e-02 -2.956483428843e-01 1.832529947394e-01 1.041293720176e-01 -4.610571697576e-01 2.902343553512e-01
|
||||
3*0.0 -1.060035869900e-01 6.113134528557e-02 1.099506044174e-01 -8.999604321539e-02 -1.023372396061e-01 2.667723670300e-01 -2.060292807262e-01 3*0.0 1.144392179924e-01 -6.974599109050e-02 -2.965857490180e-01 1.802568714578e-01 1.026161182661e-01 -4.570105575412e-01 2.864157801312e-01
|
||||
3*0.0 -1.043091533407e-01 5.961441871902e-02 1.107385728294e-01 -8.874158748590e-02 -1.005934002462e-01 2.650027300983e-01 -2.036846212955e-01 3*0.0 1.133814139312e-01 -6.808731056707e-02 -2.974080097636e-01 1.772925034007e-01 1.011055402076e-01 -4.529348110998e-01 2.826130430459e-01
|
||||
3*0.0 -1.026375601389e-01 5.813433768732e-02 1.114842787892e-01 -8.749799028519e-02 -9.887033950863e-02 2.632086300398e-01 -2.013429184800e-01 3*0.0 1.123026309027e-01 -6.646053053758e-02 -2.981172691955e-01 1.743600066728e-01 9.959836826964e-02 -4.488317207513e-01 2.788269761127e-01
|
||||
3*0.0 -1.009885557047e-01 5.669017848324e-02 1.121884751629e-01 -8.626532848314e-02 -9.716811141205e-02 2.613911669405e-01 -1.990049258373e-01 3*0.0 1.112041054421e-01 -6.486528020873e-02 -2.987156858724e-01 1.714594813303e-01 9.809530552220e-02 -4.447030574586e-01 2.750583898251e-01
|
||||
3*0.0 -9.936188313439e-02 5.528104488033e-02 1.128518629639e-01 -8.504369431745e-02 -9.548675104787e-02 2.595513274072e-01 -1.966713654185e-01 3*0.0 1.100870491252e-01 -6.330118490322e-02 -2.992054307354e-01 1.685910117884e-01 9.659702819479e-02 -4.405505719898e-01 2.713080729479e-01
|
||||
3*0.0 -9.775728612019e-02 5.390607321108e-02 1.134751871515e-01 -8.383303688013e-02 -9.382627423335e-02 2.576900798162e-01 -1.943428879328e-01 3*0.0 1.089526484399e-01 -6.176786644020e-02 -2.995886850669e-01 1.657546672261e-01 9.510418619268e-02 -4.363759941241e-01 2.675767923437e-01
|
||||
3*0.0 -9.617450340114e-02 5.256440809099e-02 1.140591048286e-01 -8.263350021016e-02 -9.218668382642e-02 2.558084350386e-01 -1.920201795969e-01 3*0.0 1.078020646828e-01 -6.026494350307e-02 -2.998676385103e-01 1.629505019891e-01 9.361740361203e-02 -4.321810319023e-01 2.638652928318e-01
|
||||
3*0.0 -9.461655951741e-02 5.125510715389e-02 1.146129428907e-01 -8.144470098086e-02 -9.056994618017e-02 2.539129423529e-01 -1.897069596724e-01 3*0.0 1.066364338785e-01 -5.879203199509e-02 -3.000444871512e-01 1.601785559896e-01 9.213727925344e-02 -4.279673709220e-01 2.601742970762e-01
|
||||
3*0.0 -9.307570690053e-02 4.997759971479e-02 1.151167522556e-01 -8.026738534755e-02 -8.897166829537e-02 2.519918050283e-01 -1.873968929896e-01 3*0.0 1.054568667228e-01 -5.734874538301e-02 -3.001214316581e-01 1.574388551030e-01 9.066438713350e-02 -4.237366736759e-01 2.565045055028e-01
|
||||
3*0.0 -9.155585765152e-02 4.873100175650e-02 1.155829642047e-01 -7.910119850805e-02 -8.739416457564e-02 2.500529536324e-01 -1.850943536850e-01 3*0.0 1.042644485473e-01 -5.593469502893e-02 -3.001006754841e-01 1.547314115613e-01 8.919927699420e-02 -4.194905789322e-01 2.528565962446e-01
|
||||
3*0.0 -9.005677571878e-02 4.751454581316e-02 1.160122744020e-01 -7.794626062457e-02 -8.583740208242e-02 2.480973257762e-01 -1.827999635165e-01 3*0.0 1.030602393068e-01 -5.454949051070e-02 -2.999844231274e-01 1.520562243435e-01 8.774247480967e-02 -4.152307011571e-01 2.492312251138e-01
|
||||
3*0.0 -8.857822509045e-02 4.632750013347e-02 1.164053680331e-01 -7.680248246325e-02 -8.430131824921e-02 2.461258125361e-01 -1.805142512259e-01 3*0.0 1.018452735876e-01 -5.319273993110e-02 -2.997748784514e-01 1.494132795615e-01 8.629448329013e-02 -4.109586299773e-01 2.456290255995e-01
|
||||
3*0.0 -8.711997142450e-02 4.516913722835e-02 1.167629222334e-01 -7.567000308652e-02 -8.278585564558e-02 2.441393540616e-01 -1.782377855480e-01 3*0.0 1.006205606358e-01 -5.186405021610e-02 -2.994742430624e-01 1.468025508431e-01 8.485578238275e-02 -4.066759296826e-01 2.420506088899e-01
|
||||
3*0.0 -8.568178039431e-02 4.403876395635e-02 1.170855782390e-01 -7.454873167273e-02 -8.129093492791e-02 2.421387291484e-01 -1.759710808099e-01 3*0.0 9.938708440721e-02 -5.056302740230e-02 -2.990847147468e-01 1.442239997099e-01 8.342682976918e-02 -4.023841387670e-01 2.384965639190e-01
|
||||
3*0.0 -8.426341893839e-02 4.293569189423e-02 1.173740304529e-01 -7.343868402371e-02 -7.981647475171e-02 2.401249081925e-01 -1.737146065367e-01 3*0.0 9.814580363496e-02 -4.928927691392e-02 -2.986084859639e-01 1.416775759517e-01 8.200806135955e-02 -3.980847695074e-01 2.349674574346e-01
|
||||
3*0.0 -8.286465537744e-02 4.185925956676e-02 1.176288816698e-01 -7.233988354744e-02 -7.836238289119e-02 2.380986454927e-01 -1.714688661873e-01 3*0.0 9.689765191710e-02 -4.804240382953e-02 -2.980477423961e-01 1.391632179965e-01 8.059989178279e-02 -3.937793075798e-01 2.314638340893e-01
|
||||
3*0.0 -8.148525953762e-02 4.080881754459e-02 1.178507709414e-01 -7.125234698705e-02 -7.692855840877e-02 2.360608144547e-01 -1.692343342966e-01 3*0.0 9.564353782194e-02 -4.682201313872e-02 -2.974046615553e-01 1.366808532753e-01 7.920271487297e-02 -3.894692117101e-01 2.279862165511e-01
|
||||
3*0.0 -8.012500078617e-02 3.978373865881e-02 1.180403187579e-01 -7.017601654817e-02 -7.551489434270e-02 2.340121383604e-01 -1.670114235986e-01 3*0.0 9.438434501101e-02 -4.562770998894e-02 -2.966814114436e-01 1.342303985833e-01 7.781690415164e-02 -3.851559133612e-01 2.245351056344e-01
|
||||
3*0.0 -7.878365374261e-02 3.878340427025e-02 1.181981327507e-01 -6.911092589628e-02 -7.412127549516e-02 2.319535369931e-01 -1.648005723459e-01 3*0.0 9.312093237899e-02 -4.445909992280e-02 -2.958801492694e-01 1.318117604352e-01 7.644281330593e-02 -3.808408164529e-01 2.211109804492e-01
|
||||
3*0.0 -7.746098921820e-02 3.780722180135e-02 1.183248049459e-01 -6.805703838522e-02 -7.274758065147e-02 2.298856433402e-01 -1.626021936623e-01 3*0.0 9.185413420989e-02 -4.331578910590e-02 -2.950030202160e-01 1.294248354163e-01 7.508077666231e-02 -3.765252971151e-01 2.177142985680e-01
|
||||
3*0.0 -7.615678584291e-02 3.685460493230e-02 1.184209167096e-01 -6.701437772645e-02 -7.139368073978e-02 2.278093033309e-01 -1.604166550272e-01 3*0.0 9.058476034891e-02 -4.219738454553e-02 -2.940521562638e-01 1.270695105287e-01 7.373110965588e-02 -3.722107034732e-01 2.143454962100e-01
|
||||
3*0.0 -7.487081858639e-02 3.592498804245e-02 1.184870471002e-01 -6.598287410447e-02 -7.005944566941e-02 2.257252030812e-01 -1.582443459900e-01 3*0.0 8.931359638926e-02 -4.110349430042e-02 -2.930296750641e-01 1.247456635317e-01 7.239410929499e-02 -3.678983554640e-01 2.110049884410e-01
|
||||
3*0.0 -7.360287032647e-02 3.501781639410e-02 1.185237664134e-01 -6.496253662939e-02 -6.874473423060e-02 2.236341192064e-01 -1.560855984005e-01 3*0.0 8.804140387345e-02 -4.003372768169e-02 -2.919376788640e-01 1.224531632776e-01 7.107005462131e-02 -3.635895446818e-01 2.076931693879e-01
|
||||
3*0.0 -7.235271843255e-02 3.413255289782e-02 1.185316185940e-01 -6.395331752804e-02 -6.744940623020e-02 2.215366975619e-01 -1.539407727646e-01 3*0.0 8.676892050822e-02 -3.898769544528e-02 -2.907782534813e-01 1.201918700421e-01 6.975920716491e-02 -3.592855342539e-01 2.044104124679e-01
|
||||
3*0.0 -7.112015124335e-02 3.326867155990e-02 1.185111697461e-01 -6.295523928764e-02 -6.617331338802e-02 2.194336746951e-01 -1.518101901416e-01 3*0.0 8.549686039262e-02 -3.796500997597e-02 -2.895534673288e-01 1.179616358494e-01 6.846181139455e-02 -3.549875587434e-01 2.011570706307e-01
|
||||
3*0.0 -6.990495349782e-02 3.242566380132e-02 1.184629565080e-01 -6.196818174898e-02 -6.491630100055e-02 2.173256816130e-01 -1.496941188027e-01 3*0.0 8.422591425857e-02 -3.696528546329e-02 -2.882653704870e-01 1.157623047914e-01 6.717809516298e-02 -3.506968240800e-01 1.979334766135e-01
|
||||
3*0.0 -6.870691375829e-02 3.160302317255e-02 1.183875090821e-01 -6.099224504810e-02 -6.367822170614e-02 2.152134562869e-01 -1.475929172751e-01 3*0.0 8.295674972325e-02 -3.598813806942e-02 -2.869159938239e-01 1.135937133424e-01 6.590827014716e-02 -3.464145075163e-01 1.947399432072e-01
|
||||
3*0.0 -6.752582437403e-02 3.080027389978e-02 1.182853648914e-01 -6.002726859268e-02 -6.245890799067e-02 2.130975647704e-01 -1.455067993673e-01 3*0.0 8.169001155267e-02 -3.503318608935e-02 -2.855073481614e-01 1.114556906677e-01 6.465253228328e-02 -3.421417576100e-01 1.915767635334e-01
|
||||
3*0.0 -6.636147875180e-02 3.001693275194e-02 1.181570561883e-01 -5.907330460872e-02 -6.125820377959e-02 2.109787269833e-01 -1.434360685015e-01 3*0.0 8.042632193598e-02 -3.410005010340e-02 -2.840414234871e-01 1.093480589262e-01 6.341106219664e-02 -3.378796942298e-01 1.884442113327e-01
|
||||
3*0.0 -6.521367455973e-02 2.925254337652e-02 1.180030917449e-01 -5.813027981812e-02 -6.007594715526e-02 2.088574865342e-01 -1.413809686968e-01 3*0.0 7.916628076960e-02 -3.318835312240e-02 -2.825201882109e-01 1.072706335688e-01 6.218402562624e-02 -3.336294085849e-01 1.853425412604e-01
|
||||
3*0.0 -6.408220983598e-02 2.850665604373e-02 1.178239994414e-01 -5.719811622814e-02 -5.891196280097e-02 2.067345067584e-01 -1.393417124363e-01 3*0.0 7.791046595088e-02 -3.229772072558e-02 -2.809455884645e-01 1.052232236295e-01 6.097157384400e-02 -3.293919632779e-01 1.822719891928e-01
|
||||
3*0.0 -6.296688860005e-02 2.777882692454e-02 1.176202894553e-01 -5.627686392757e-02 -5.776609276506e-02 2.046103546067e-01 -1.373185682302e-01 3*0.0 7.665943368051e-02 -3.142778119152e-02 -2.793195474440e-01 1.032056320126e-01 5.977384406861e-02 -3.251683923777e-01 1.792327725398e-01
|
||||
3*0.0 -6.186751415219e-02 2.706863332766e-02 1.173924692466e-01 -5.536639799896e-02 -5.663815835631e-02 2.024856166331e-01 -1.353117191477e-01 3*0.0 7.541371877313e-02 -3.057816562212e-02 -2.776439647935e-01 1.012176557726e-01 5.859095987389e-02 -3.209597015147e-01 1.762250905660e-01
|
||||
3*0.0 -6.078389440365e-02 2.637565185979e-02 1.171410684948e-01 -5.446671687846e-02 -5.552798987602e-02 2.003608985802e-01 -1.333213624434e-01 3*0.0 7.417383497565e-02 -2.974850806001e-02 -2.759207160299e-01 9.925908638988e-02 5.742303159172e-02 -3.167668679949e-01 1.732491247177e-01
|
||||
3*0.0 -5.971583995668e-02 2.569948112362e-02 1.168665633453e-01 -5.357774418585e-02 -5.443541294206e-02 1.982367001128e-01 -1.313477016602e-01 3*0.0 7.294027529253e-02 -2.893844559940e-02 -2.741516520066e-01 9.732971003994e-02 5.627015670935e-02 -3.125908409337e-01 1.703050389561e-01
|
||||
3*0.0 -5.866316242897e-02 2.503971889210e-02 1.165694948009e-01 -5.269946204437e-02 -5.336025004288e-02 1.961136649435e-01 -1.293909224630e-01 3*0.0 7.171351231773e-02 -2.814761849059e-02 -2.723385984160e-01 9.542930785711e-02 5.513242026118e-02 -3.084325414074e-01 1.673929800957e-01
|
||||
3*0.0 -5.762567878400e-02 2.439598274822e-02 1.162503337447e-01 -5.183181373124e-02 -5.230232731629e-02 1.939921968108e-01 -1.274511672641e-01 3*0.0 7.049399857247e-02 -2.737567023833e-02 -2.704833553297e-01 9.355765619282e-02 5.400989521488e-02 -3.042928626225e-01 1.645130781473e-01
|
||||
3*0.0 -5.660320523594e-02 2.376788924073e-02 1.159096141843e-01 -5.097468839619e-02 -5.126146477911e-02 1.918729736691e-01 -1.255286018528e-01 3*0.0 6.928216684858e-02 -2.662224769423e-02 -2.685876967749e-01 9.171452686806e-02 5.290264285182e-02 -3.001726701013e-01 1.616654466658e-01
|
||||
3*0.0 -5.559556377860e-02 2.315507478780e-02 1.155478027827e-01 -5.012815563677e-02 -5.023748373031e-02 1.897563728929e-01 -1.236233909167e-01 3*0.0 6.807843055665e-02 -2.588700114327e-02 -2.666533703466e-01 8.989968742038e-02 5.181071314191e-02 -2.960728018834e-01 1.588501831011e-01
|
||||
3*0.0 -5.460257623421e-02 2.255717583748e-02 1.151654374046e-01 -4.929203515104e-02 -4.923020612415e-02 1.876429913432e-01 -1.217356465193e-01 3*0.0 6.688318407868e-02 -2.516958438472e-02 -2.646820968542e-01 8.811290134523e-02 5.073414511254e-02 -2.919940687426e-01 1.560673691517e-01
|
||||
3*0.0 -5.362406831481e-02 2.197384325538e-02 1.147629846197e-01 -4.846636661058e-02 -4.823945008225e-02 1.855332895022e-01 -1.198655101874e-01 3*0.0 6.569680312463e-02 -2.446965480755e-02 -2.626755700021e-01 8.635392833171e-02 4.967296721195e-02 -2.879372544171e-01 1.533170711219e-01
|
||||
3*0.0 -5.265986786060e-02 2.140473606082e-02 1.143409553584e-01 -4.765100128595e-02 -4.726503459727e-02 1.834277163060e-01 -1.180130631741e-01 3*0.0 6.451964509232e-02 -2.378687346042e-02 -2.606354561018e-01 8.462252449289e-02 4.862719766666e-02 -2.839031158543e-01 1.505993402800e-01
|
||||
3*0.0 -5.170980274006e-02 2.084951531173e-02 1.138998262284e-01 -4.684595499911e-02 -4.630678234629e-02 1.813267956756e-01 -1.161784754329e-01 3*0.0 6.335204943042e-02 -2.312090511664e-02 -2.585633938173e-01 8.291844259055e-02 4.759684483320e-02 -2.798923834679e-01 1.479142132188e-01
|
||||
3*0.0 -5.077370700309e-02 2.030786081310e-02 1.134401070392e-01 -4.605111327744e-02 -4.536450735025e-02 1.792309289863e-01 -1.143617847293e-01 3*0.0 6.219433800384e-02 -2.247141833396e-02 -2.564609939393e-01 8.124143225447e-02 4.658190754397e-02 -2.759057614069e-01 1.452617122170e-01
|
||||
3*0.0 -4.985141396539e-02 1.977944785911e-02 1.129622741957e-01 -4.526649886989e-02 -4.443802995595e-02 1.771406423489e-01 -1.125631280690e-01 3*0.0 6.104681546123e-02 -2.183808550956e-02 -2.543298391905e-01 7.959124019635e-02 4.558237544725e-02 -2.719439278365e-01 1.426418456010e-01
|
||||
3*0.0 -4.894275894387e-02 1.926397113106e-02 1.124668167121e-01 -4.449195300080e-02 -4.352716944187e-02 1.750562963249e-01 -1.107825503274e-01 3*0.0 5.990976960411e-02 -2.122058293034e-02 -2.521714840591e-01 7.796761041831e-02 4.459822934143e-02 -2.680075352291e-01 1.400546081075e-01
|
||||
3*0.0 -4.804758136857e-02 1.876112803679e-02 1.119542159910e-01 -4.372743241555e-02 -4.263174035897e-02 1.729783257371e-01 -1.090201304033e-01 3*0.0 5.878347175716e-02 -2.061859081857e-02 -2.499874546599e-01 7.637028441607e-02 4.362944150323e-02 -2.640972106660e-01 1.374999812457e-01
|
||||
3*0.0 -4.716572010044e-02 1.827061561030e-02 1.114249510472e-01 -4.297294795747e-02 -4.175156472021e-02 1.709072071755e-01 -1.072759454456e-01 3*0.0 5.766817713943e-02 -2.003179337315e-02 -2.477792486225e-01 7.479900137679e-02 4.267597601023e-02 -2.602135561483e-01 1.349779336587e-01
|
||||
3*0.0 -4.629701778585e-02 1.779215266988e-02 1.108794895323e-01 -4.222832488206e-02 -4.088646105592e-02 1.688432587403e-01 -1.055500293250e-01 3*0.0 5.656412523581e-02 -1.945987880661e-02 -2.455483350057e-01 7.325349837183e-02 4.173778905734e-02 -2.563571489162e-01 1.324884214848e-01
|
||||
3*0.0 -4.544131658209e-02 1.732545325384e-02 1.103183084006e-01 -4.149354752745e-02 -4.003624438760e-02 1.667869276816e-01 -1.038424388901e-01 3*0.0 5.547154016875e-02 -1.890253937792e-02 -2.432961542361e-01 7.173351054410e-02 4.081482926754e-02 -2.525285417767e-01 1.300313887166e-01
|
||||
3*0.0 -4.459846428450e-02 1.687024022645e-02 1.097418779442e-01 -4.076858422327e-02 -3.920073796796e-02 1.647386074574e-01 -1.021532211461e-01 3*0.0 5.439063106945e-02 -1.835947142132e-02 -2.410241180722e-01 7.023877129054e-02 3.990703799659e-02 -2.487282634396e-01 1.276067675595e-01
|
||||
3*0.0 -4.376830587572e-02 1.642624880963e-02 1.091506497700e-01 -4.005329472903e-02 -3.837975730030e-02 1.626986243728e-01 -1.004823812768e-01 3*0.0 5.332159244855e-02 -1.783037537133e-02 -2.387336095899e-01 6.876901243931e-02 3.901434963201e-02 -2.449568188594e-01 1.252144787876e-01
|
||||
3*0.0 -4.295069252956e-02 1.599321241354e-02 1.085450883632e-01 -3.934770536427e-02 -3.757312858915e-02 1.606673566893e-01 -9.882999357430e-02 3*0.0 5.226460456576e-02 -1.731495578392e-02 -2.364259831925e-01 6.732396442211e-02 3.813669188603e-02 -2.412146895841e-01 1.228544320978e-01
|
||||
3*0.0 -4.214547272199e-02 1.557087752980e-02 1.079256377379e-01 -3.865163543519e-02 -3.678066447900e-02 1.586451687828e-01 -9.719601936069e-02 3*0.0 5.121983379818e-02 -1.681292135420e-02 -2.341025646401e-01 6.590335644152e-02 3.727398608280e-02 -2.375023341103e-01 1.205265264613e-01
|
||||
3*0.0 -4.135249943255e-02 1.515899207076e-02 1.072927608252e-01 -3.796507906955e-02 -3.600218842752e-02 1.566323879240e-01 -9.558048583603e-02 3*0.0 5.018743300696e-02 -1.632398493057e-02 -2.317646511016e-01 6.450691663342e-02 3.642614743967e-02 -2.338201882432e-01 1.182306504726e-01
|
||||
3*0.0 -4.057162664070e-02 1.475731236248e-02 1.066468808861e-01 -3.728795633243e-02 -3.523752326536e-02 1.546293424337e-01 -9.398341511280e-02 3*0.0 4.916754190216e-02 -1.584786352553e-02 -2.294135112250e-01 6.313437222467e-02 3.559308534260e-02 -2.301686654615e-01 1.159666826955e-01
|
||||
3*0.0 -3.980270987662e-02 1.436559894742e-02 1.059884505189e-01 -3.662017919133e-02 -3.448648911797e-02 1.526363492795e-01 -9.240476424111e-02 3*0.0 4.816028740525e-02 -1.538427832332e-02 -2.270503852277e-01 6.178544968593e-02 3.477470361581e-02 -2.265481572869e-01 1.137344920055e-01
|
||||
3*0.0 -3.904560528256e-02 1.398361767280e-02 1.053179019818e-01 -3.596168398605e-02 -3.374890909644e-02 1.506537447827e-01 -9.084455407468e-02 3*0.0 4.716578400933e-02 -1.493295468442e-02 -2.246764850049e-01 6.045987487992e-02 3.397090078560e-02 -2.229590336574e-01 1.115339379291e-01
|
||||
3*0.0 -3.830017324343e-02 1.361114401634e-02 1.046356514366e-01 -3.531240339070e-02 -3.302460742857e-02 1.486817488091e-01 -8.930274960144e-02 3*0.0 4.618413413646e-02 -1.449362214707e-02 -2.222929942545e-01 5.915737320496e-02 3.318157033828e-02 -2.194016433043e-01 1.093648709798e-01
|
||||
3*0.0 -3.756627194119e-02 1.324794965205e-02 1.039421293686e-01 -3.467228346782e-02 -3.231340786136e-02 1.467207509586e-01 -8.777934256278e-02 3*0.0 4.521542849219e-02 -1.406601442599e-02 -2.199010686203e-01 5.787766973403e-02 3.240660097252e-02 -2.158763141314e-01 1.072271329899e-01
|
||||
3*0.0 -3.684376322069e-02 1.289382252157e-02 1.032377605068e-01 -3.404115947297e-02 -3.161513534536e-02 1.447709623345e-01 -8.627427770835e-02 3*0.0 4.425974641679e-02 -1.364986940827e-02 -2.175018358496e-01 5.662048934930e-02 3.164587684572e-02 -2.123833535977e-01 1.051205574376e-01
|
||||
3*0.0 -3.613251105105e-02 1.254854807080e-02 1.025229319811e-01 -3.341906039400e-02 -3.092961643481e-02 1.428326563634e-01 -8.478755483719e-02 3*0.0 4.331715623319e-02 -1.324492914674e-02 -2.150963959669e-01 5.538555687233e-02 3.089927781490e-02 -2.089230491018e-01 1.030449697718e-01
|
||||
3*0.0 -3.543237981903e-02 1.221191553659e-02 1.017980955866e-01 -3.280587602694e-02 -3.025667748435e-02 1.409061524444e-01 -8.331910055002e-02 3*0.0 4.238771559119e-02 -1.285093985072e-02 -2.126858214614e-01 5.417259718986e-02 3.016667967174e-02 -2.054956683681e-01 1.010001877306e-01
|
||||
3*0.0 -3.474323474927e-02 1.188372868639e-02 1.010636049630e-01 -3.220149855499e-02 -2.959614648677e-02 1.389916014005e-01 -8.186888641028e-02 3*0.0 4.147147180801e-02 -1.246765187438e-02 -2.102711574890e-01 5.298133537541e-02 2.944795437202e-02 -2.021014598340e-01 9.898602165620e-02
|
||||
3*0.0 -3.406494429735e-02 1.156378495905e-02 1.003198787304e-01 -3.160589375805e-02 -2.894785207383e-02 1.370893043238e-01 -8.043685374992e-02 3*0.0 4.056846220478e-02 -1.209481970287e-02 -2.078534220865e-01 5.181149680662e-02 2.874297025948e-02 -1.987406530392e-01 9.700227480564e-02
|
||||
3*0.0 -3.339737673715e-02 1.125188939978e-02 9.956731624550e-02 -3.101898770727e-02 -2.831162722439e-02 1.351994950841e-01 -7.902295320277e-02 3*0.0 3.967871443893e-02 -1.173220193615e-02 -2.054336063987e-01 5.066280727856e-02 2.805159228406e-02 -1.954134590138e-01 9.504874365581e-02
|
||||
3*0.0 -3.274040268586e-02 1.094785834955e-02 9.880629194148e-02 -3.044064873870e-02 -2.768729711161e-02 1.333223581262e-01 -7.762710151865e-02 3*0.0 3.880224683227e-02 -1.137956127076e-02 -2.030126749170e-01 4.953499311293e-02 2.737368221462e-02 -1.921200706688e-01 9.312521820435e-02
|
||||
3*0.0 -3.209389342690e-02 1.065150339823e-02 9.803719655065e-02 -2.987082867735e-02 -2.707469901801e-02 1.314581282569e-01 -7.624925583090e-02 3*0.0 3.793906869464e-02 -1.103666447958e-02 -2.005915657293e-01 4.842778126337e-02 2.670909884616e-02 -1.888606631848e-01 9.123148226527e-02
|
||||
3*0.0 -3.145772257734e-02 1.036264308872e-02 9.726040185191e-02 -2.930949240038e-02 -2.647366410039e-02 1.296070070906e-01 -7.488933547352e-02 3*0.0 3.708918064298e-02 -1.070328238971e-02 -1.981711907796e-01 4.734089941680e-02 2.605769820161e-02 -1.856353944013e-01 8.936731375973e-02
|
||||
3*0.0 -3.083176475791e-02 1.008110257321e-02 9.647629416077e-02 -2.875648809923e-02 -2.588402869971e-02 1.277691992159e-01 -7.354726737198e-02 3*0.0 3.625257491565e-02 -1.037918985846e-02 -1.957524361385e-01 4.627407609100e-02 2.541933372821e-02 -1.824444052050e-01 8.753248500150e-02
|
||||
3*0.0 -3.021589501213e-02 9.806711186461e-03 9.568523326073e-02 -2.821173952873e-02 -2.530562393940e-02 1.259448629630e-01 -7.222295101436e-02 3*0.0 3.542923568206e-02 -1.006416574771e-02 -1.933361622820e-01 4.522704072845e-02 2.479385648854e-02 -1.792878199173e-01 8.572676297743e-02
|
||||
3*0.0 -2.960999203532e-02 9.539294924290e-03 9.488758621703e-02 -2.767525480046e-02 -2.473829470087e-02 1.241342158627e-01 -7.091634488386e-02 3*0.0 3.461913934721e-02 -9.757992896551e-03 -1.909232043790e-01 4.419952378649e-02 2.418111534621e-02 -1.761657466803e-01 8.394990962250e-02
|
||||
3*0.0 -2.901393270830e-02 9.278694356999e-03 9.408371158176e-02 -2.714686692149e-02 -2.418187195457e-02 1.223373966127e-01 -6.962732656539e-02 3*0.0 3.382225485134e-02 -9.460458092450e-03 -1.885143725875e-01 4.319125682388e-02 2.358095714641e-02 -1.730782778417e-01 8.220168208969e-02
|
||||
3*0.0 -2.842759751689e-02 9.024746546532e-03 9.327395894684e-02 -2.662652628975e-02 -2.363619937305e-02 1.205545667744e-01 -6.835581270759e-02 3*0.0 3.303854396445e-02 -9.171352040884e-03 -1.861104523580e-01 4.220197258389e-02 2.299322689114e-02 -1.700254903374e-01 8.048183301441e-02
|
||||
3*0.0 -2.785086639846e-02 8.777292347588e-03 9.245869236638e-02 -2.611415990680e-02 -2.310111442820e-02 1.187859272606e-01 -6.710171223469e-02 3*0.0 3.226796157558e-02 -8.890469333635e-03 -1.837122047429e-01 4.123140507387e-02 2.241776790941e-02 -1.670074460728e-01 7.879011077358e-02
|
||||
3*0.0 -2.728362417740e-02 8.536181331192e-03 9.163824611041e-02 -2.560968017472e-02 -2.257646380245e-02 1.170315558417e-01 -6.586492853061e-02 3*0.0 3.151045597691e-02 -8.617608415765e-03 -1.813203667143e-01 4.027928964156e-02 2.185442202230e-02 -1.640241923012e-01 7.712625973927e-02
|
||||
3*0.0 -2.672575308005e-02 8.301260807557e-03 9.081296707976e-02 -2.511302444756e-02 -2.206208906959e-02 1.152916346245e-01 -6.464536329134e-02 3*0.0 3.076596914254e-02 -8.352571551372e-03 -1.789356514858e-01 3.934536304801e-02 2.130302970305e-02 -1.610757620003e-01 7.549002052690e-02
|
||||
3*0.0 -2.617713649778e-02 8.072383509780e-03 8.998318699821e-02 -2.462408909165e-02 -2.155783457244e-02 1.135663012138e-01 -6.344291081071e-02 3*0.0 3.003443700187e-02 -8.095164788185e-03 -1.765587488409e-01 3.842936353732e-02 2.076343023216e-02 -1.581621742456e-01 7.388113023799e-02
|
||||
3*0.0 -2.563766129608e-02 7.849407231903e-03 8.914925106890e-02 -2.414278181853e-02 -2.106354427185e-02 1.118556677139e-01 -6.225743325738e-02 3*0.0 2.931578970760e-02 -7.845197921093e-03 -1.741903254661e-01 3.753103090325e-02 2.023546184762e-02 -1.552834345811e-01 7.229932269739e-02
|
||||
3*0.0 -2.510721573268e-02 7.632192738056e-03 8.831147543679e-02 -2.366904924348e-02 -2.057906915183e-02 1.101598300869e-01 -6.108885610107e-02 3*0.0 2.860995189831e-02 -7.602484454661e-03 -1.718310252884e-01 3.665010655271e-02 1.971896189034e-02 -1.524395353875e-01 7.074432868504e-02
|
||||
3*0.0 -2.458568652786e-02 7.420601350832e-03 8.747017665167e-02 -2.320280424574e-02 -2.010425870099e-02 1.084789188631e-01 -5.993706481991e-02 3*0.0 2.791684295554e-02 -7.366841564706e-03 -1.694814698168e-01 3.578633356631e-02 1.921376694478e-02 -1.496304562461e-01 6.921587616233e-02
|
||||
3*0.0 -2.407296331406e-02 7.214496788727e-03 8.662568815535e-02 -2.274399275699e-02 -1.963896090809e-02 1.068130499590e-01 -5.880193292836e-02 3*0.0 2.723637725537e-02 -7.138090059008e-03 -1.671422584878e-01 3.493945675591e-02 1.871971297493e-02 -1.468561643003e-01 6.771369049287e-02
|
||||
3*0.0 -2.356893556041e-02 7.013750251985e-03 8.577832662986e-02 -2.229247874106e-02 -1.918302652578e-02 1.051623259140e-01 -5.768332917028e-02 3*0.0 2.656846441450e-02 -6.916054337211e-03 -1.648139690139e-01 3.410922271935e-02 1.823663545562e-02 -1.441166146131e-01 6.623749465792e-02
|
||||
3*0.0 -2.307349618897e-02 6.818234172712e-03 8.492838226877e-02 -2.184821952311e-02 -1.873631097370e-02 1.035268012290e-01 -5.658115584460e-02 3*0.0 2.591300953085e-02 -6.700562349974e-03 -1.624971577346e-01 3.329537989238e-02 1.776436949937e-02 -1.414117505213e-01 6.478700946625e-02
|
||||
3*0.0 -2.258653652738e-02 6.627823087876e-03 8.407616138320e-02 -2.141112757581e-02 -1.829866929678e-02 1.019065618044e-01 -5.549528677819e-02 3*0.0 2.526991341858e-02 -6.491445557451e-03 -1.601923599705e-01 3.249767859787e-02 1.730274997866e-02 -1.387415039853e-01 6.336195375872e-02
|
||||
3*0.0 -2.210795034542e-02 6.442391430091e-03 8.322198047421e-02 -2.098114279350e-02 -1.786995489271e-02 1.003017449527e-01 -5.442558322351e-02 3*0.0 2.463907283760e-02 -6.288538887135e-03 -1.579000903791e-01 3.171587109235e-02 1.685161164386e-02 -1.361057959351e-01 6.196204460741e-02
|
||||
3*0.0 -2.163763142451e-02 6.261823234668e-03 8.236612162322e-02 -2.055812701793e-02 -1.745002624578e-02 9.871236138091e-02 -5.337191855925e-02 3*0.0 2.402038071762e-02 -6.091680691135e-03 -1.556208433117e-01 3.094971160999e-02 1.641078923681e-02 -1.335045366132e-01 6.058699750934e-02
|
||||
3*0.0 -2.117547595990e-02 6.086000671828e-03 8.150886250505e-02 -2.014206557829e-02 -1.703874047783e-02 9.713847655912e-02 -5.233418012403e-02 3*0.0 2.341372637664e-02 -5.900712702945e-03 -1.533550931732e-01 3.019895640408e-02 1.598011760012e-02 -1.309376259117e-01 5.923652657501e-02
|
||||
3*0.0 -2.072137927123e-02 5.914807427249e-03 8.065051018273e-02 -1.973284499050e-02 -1.663596056222e-02 9.558019500596e-02 -5.131221314314e-02 3*0.0 2.281899573402e-02 -5.715479993748e-03 -1.511032947813e-01 2.946336378595e-02 1.555943178236e-02 -1.284049537065e-01 5.791034471149e-02
|
||||
3*0.0 -2.027523882711e-02 5.748131742713e-03 7.979133327249e-02 -1.933038903178e-02 -1.624154867285e-02 9.403755401891e-02 -5.030590868654e-02 3*0.0 2.223607151802e-02 -5.535830928307e-03 -1.488658837270e-01 2.874269416167e-02 1.514856713901e-02 -1.259064001863e-01 5.660816380043e-02
|
||||
3*0.0 -1.983695287139e-02 5.585866875592e-03 7.893159304001e-02 -1.893462864606e-02 -1.585536290153e-02 9.251057220248e-02 -4.931511704486e-02 3*0.0 2.166483346802e-02 -5.361617120499e-03 -1.466432767360e-01 2.803671006628e-02 1.474735942952e-02 -1.234418361778e-01 5.532969487079e-02
|
||||
3*0.0 -1.940642014815e-02 5.427904500347e-03 7.807156829318e-02 -1.854547107852e-02 -1.547727126056e-02 9.099930240933e-02 -4.833970685451e-02 3*0.0 2.110515853123e-02 -5.192693388540e-03 -1.444358720293e-01 2.734517619583e-02 1.435564491031e-02 -1.210111234654e-01 5.407464826646e-02
|
||||
3*0.0 -1.898353981419e-02 5.274138930406e-03 7.721152288223e-02 -1.816284514126e-02 -1.510713611206e-02 8.950381363646e-02 -4.737953646548e-02 3*0.0 2.055692105415e-02 -5.028917709929e-03 -1.422440496843e-01 2.666785943727e-02 1.397326042394e-02 -1.186141151075e-01 5.284273380880e-02
|
||||
3*0.0 -1.856821338788e-02 5.124468787597e-03 7.635168913526e-02 -1.778669774178e-02 -1.474482927771e-02 8.802408677239e-02 -4.643447823743e-02 3*0.0 2.001999296866e-02 -4.870151176183e-03 -1.400681719947e-01 2.600452889608e-02 1.360004348447e-02 -1.162506557473e-01 5.163366095414e-02
|
||||
3*0.0 -1.816034250660e-02 4.978795247065e-03 7.549236261690e-02 -1.741689723669e-02 -1.439021841869e-02 8.656017553918e-02 -4.550437663383e-02 3*0.0 1.949424397283e-02 -4.716257947379e-03 -1.379085838309e-01 2.535495592193e-02 1.323583235909e-02 -1.139205819186e-01 5.044713894633e-02
|
||||
3*0.0 -1.775982775276e-02 4.837020641001e-03 7.463375064978e-02 -1.705337975232e-02 -1.404316848703e-02 8.511208973319e-02 -4.458908804752e-02 3*0.0 1.897954170654e-02 -4.567105206563e-03 -1.357656129977e-01 2.471891413235e-02 1.288046614607e-02 -1.116237223481e-01 4.928287696435e-02
|
||||
3*0.0 -1.736657395485e-02 4.699047003673e-03 7.377610753701e-02 -1.669611867258e-02 -1.370355628376e-02 8.367985675971e-02 -4.368849251614e-02 3*0.0 1.847575192193e-02 -4.422563114050e-03 -1.336395705922e-01 2.409617943432e-02 1.253378484922e-02 -1.093598982514e-01 4.814058426516e-02
|
||||
3*0.0 -1.698048314044e-02 4.564782920540e-03 7.291966808017e-02 -1.634498077979e-02 -1.337125043861e-02 8.226347379612e-02 -4.280242167603e-02 3*0.0 1.798273864870e-02 -4.282504761666e-03 -1.315307513599e-01 2.348653004408e-02 1.219562944879e-02 -1.071289236248e-01 4.701997032163e-02
|
||||
3*0.0 -1.660146116950e-02 4.434138022743e-03 7.206465653948e-02 -1.599988905086e-02 -1.304612871069e-02 8.086293291429e-02 -4.193073854314e-02 3*0.0 1.750036435439e-02 -4.146806126957e-03 -1.294394340486e-01 2.288974650511e-02 1.186584196896e-02 -1.049306055325e-01 4.592074495591e-02
|
||||
3*0.0 -1.622941394102e-02 4.307022581301e-03 7.121129820768e-02 -1.566080226386e-02 -1.272806616417e-02 7.947825290675e-02 -4.107331000701e-02 3*0.0 1.702849009965e-02 -4.015346027404e-03 -1.273658817608e-01 2.230561170420e-02 1.154426554200e-02 -1.027647443880e-01 4.484261846808e-02
|
||||
3*0.0 -1.586424546977e-02 4.183347797884e-03 7.035981300818e-02 -1.532762661581e-02 -1.241693708899e-02 7.810942567864e-02 -4.022997396897e-02 3*0.0 1.656697568857e-02 -3.888006074682e-03 -1.253103423045e-01 2.173391088597e-02 1.123074446922e-02 -1.006311342315e-01 4.378530176021e-02
|
||||
3*0.0 -1.550586450765e-02 4.063030571423e-03 6.951040848891e-02 -1.500029229936e-02 -1.211262119259e-02 7.675642436404e-02 -3.940057936717e-02 3*0.0 1.611567981414e-02 -3.764670628979e-03 -1.232730485408e-01 2.117443166559e-02 1.092512427866e-02 -9.852956300112e-02 4.274850645602e-02
|
||||
3*0.0 -1.515417621777e-02 3.945985934035e-03 6.866329680337e-02 -1.467869693788e-02 -1.181499733130e-02 7.541926415621e-02 -3.858498541320e-02 3*0.0 1.567446019890e-02 -3.645226753424e-03 -1.212542187298e-01 2.062696403993e-02 1.062725177971e-02 -9.645981280058e-02 4.173194501598e-02
|
||||
3*0.0 -1.480909107326e-02 3.832133557994e-03 6.781866511754e-02 -1.436279369480e-02 -1.152395001610e-02 7.409788407982e-02 -3.778305606278e-02 3*0.0 1.524317373088e-02 -3.529564168644e-03 -1.192540568734e-01 2.009130039716e-02 1.033697511472e-02 -9.442166016055e-02 4.073533084820e-02
|
||||
3*0.0 -1.447051876450e-02 3.721394695997e-03 6.697671364494e-02 -1.405251038562e-02 -1.123935994426e-02 7.279226345447e-02 -3.699462561324e-02 3*0.0 1.482167659489e-02 -3.417575207468e-03 -1.172727530559e-01 1.956723552482e-02 1.005414380762e-02 -9.241487629569e-02 3.975837841496e-02
|
||||
3*0.0 -1.413836627218e-02 3.613689405135e-03 6.613764421705e-02 -1.374775634020e-02 -1.096110926240e-02 7.150241485253e-02 -3.621954596427e-02 3*0.0 1.440982439912e-02 -3.309154769828e-03 -1.153104837810e-01 1.905456661640e-02 9.778608809686e-03 -9.043922735652e-02 3.880080333505e-02
|
||||
3*0.0 -1.381254620582e-02 3.508944560235e-03 6.530162500465e-02 -1.344845477919e-02 -1.068908417030e-02 7.022825584199e-02 -3.545766512312e-02 3*0.0 1.400747229739e-02 -3.204200277851e-03 -1.133674123064e-01 1.855309327661e-02 9.510222542505e-03 -8.849447467615e-02 3.786232248203e-02
|
||||
3*0.0 -1.349296813624e-02 3.407081796760e-03 6.446884671277e-02 -1.315454356416e-02 -1.042317205237e-02 6.896979464986e-02 -3.470883952285e-02 3*0.0 1.361447510679e-02 -3.102611631199e-03 -1.114436889749e-01 1.806261752514e-02 9.248838938211e-03 -8.658037501215e-02 3.694265407843e-02
|
||||
3*0.0 -1.317954490844e-02 3.308032638739e-03 6.363946785081e-02 -1.286593837055e-02 -1.016326228340e-02 6.772694472410e-02 -3.397291821546e-02 3*0.0 1.323068742108e-02 -3.004291162647e-03 -1.095394515420e-01 1.758294379923e-02 8.994313477065e-03 -8.469668078333e-02 3.604151778595e-02
|
||||
3*0.0 -1.287218958872e-02 3.211725257387e-03 6.281365984265e-02 -1.258258533855e-02 -9.909241395035e-03 6.649966652356e-02 -3.324974930225e-02 3*0.0 1.285596371976e-02 -2.909143593946e-03 -1.076548255004e-01 1.711387895489e-02 8.746503222459e-03 -8.284314030155e-02 3.515863479188e-02
|
||||
3*0.0 -1.257081433380e-02 3.118088755270e-03 6.199159573285e-02 -1.230440075440e-02 -9.661001676252e-03 6.528794227829e-02 -3.253917391560e-02 3*0.0 1.249015847290e-02 -2.817075991975e-03 -1.057899244010e-01 1.665523226697e-02 8.505266853418e-03 -8.101949799854e-02 3.429372789156e-02
|
||||
3*0.0 -1.227533334006e-02 3.027055765442e-03 6.117343000208e-02 -1.203130106460e-02 -9.418436041125e-03 6.409170324467e-02 -3.184104781331e-02 3*0.0 1.213312624191e-02 -2.727997725213e-03 -1.039448501698e-01 1.620681542798e-02 8.270464694668e-03 -7.922549464783e-02 3.344652156726e-02
|
||||
3*0.0 -1.198566101622e-02 2.938560743880e-03 6.035930300641e-02 -1.176323529325e-02 -9.181436431924e-03 6.291088245225e-02 -3.115522187853e-02 3*0.0 1.178472177621e-02 -2.641820420533e-03 -1.021196934218e-01 1.576844254581e-02 8.041958744341e-03 -7.746086758172e-02 3.261674206336e-02
|
||||
3*0.0 -1.170171390749e-02 2.852540302882e-03 5.954935257494e-02 -1.150012642061e-02 -8.949899900791e-03 6.174540238047e-02 -3.048154349176e-02 3*0.0 1.144480010594e-02 -2.558457920354e-03 -1.003145337701e-01 1.533993014037e-02 7.819612699392e-03 -7.572535090329e-02 3.180411745792e-02
|
||||
3*0.0 -1.142340698358e-02 2.768929463103e-03 5.874374433458e-02 -1.124189050847e-02 -8.723723124103e-03 6.059523372926e-02 -2.981985734728e-02 3*0.0 1.111321663083e-02 -2.477826240155e-03 -9.852944013227e-02 1.492109713917e-02 7.603291978794e-03 -7.401867569365e-02 3.100837773083e-02
|
||||
3*0.0 -1.115065681410e-02 2.687665035793e-03 5.794261593008e-02 -1.098847466697e-02 -8.502800273812e-03 5.946031902499e-02 -2.917001512231e-02 3*0.0 1.078982720520e-02 -2.399843526364e-03 -9.676447103167e-02 1.451176487187e-02 7.392863744582e-03 -7.234057021430e-02 3.022925482853e-02
|
||||
3*0.0 -1.088338133758e-02 2.608690160569e-03 5.714607263076e-02 -1.073980466393e-02 -8.287033357672e-03 5.834053551826e-02 -2.853186419627e-02 3*0.0 1.047448821928e-02 -2.324430014646e-03 -9.501967489543e-02 1.411175706391e-02 7.188196920817e-03 -7.069076010466e-02 2.946648272538e-02
|
||||
3*0.0 -1.062149858489e-02 2.531945137510e-03 5.635424191233e-02 -1.049581880255e-02 -8.076322938306e-03 5.723583212502e-02 -2.790526815939e-02 3*0.0 1.016705667688e-02 -2.251507988594e-03 -9.329509034799e-02 1.372089982914e-02 6.989162210531e-03 -6.906896857492e-02 2.871979748181e-02
|
||||
3*0.0 -1.036492631264e-02 2.457370467364e-03 5.556728012619e-02 -1.025642528600e-02 -7.870566981974e-03 5.614615986878e-02 -2.729005017440e-02 3*0.0 9.867390269513e-03 -2.181001738843e-03 -9.159074650064e-02 1.333902166166e-02 6.795632110723e-03 -6.747491659406e-02 2.798893729927e-02
|
||||
3*0.0 -1.011358571598e-02 2.384910902392e-03 5.478527333891e-02 -1.002158212393e-02 -7.669673651093e-03 5.507140698181e-02 -2.668608117593e-02 3*0.0 9.575347447001e-03 -2.112837522609e-03 -8.990666323676e-02 1.296595342668e-02 6.607480925473e-03 -6.590832307329e-02 2.727364257216e-02
|
||||
3*0.0 -9.867396484539e-03 2.314512377698e-03 5.400833369675e-02 -9.791231769084e-03 -7.473547031544e-03 5.401149911939e-02 -2.609322354622e-02 3*0.0 9.290787484752e-03 -2.046943523670e-03 -8.824285149284e-02 1.260152835071e-02 6.424584777236e-03 -6.436890504477e-02 2.657365593659e-02
|
||||
3*0.0 -9.626278562924e-03 2.246120256060e-03 5.323659330526e-02 -9.565261837644e-03 -7.282088342879e-03 5.296635714615e-02 -2.551129730812e-02 3*0.0 9.013570547663e-03 -1.983249812800e-03 -8.659931353519e-02 1.224558201081e-02 6.246821616381e-03 -6.285637783582e-02 2.588872231638e-02
|
||||
3*0.0 -9.390153867453e-03 2.179682717818e-03 5.247012485425e-02 -9.343640609431e-03 -7.095208172962e-03 5.193588796389e-02 -2.494017281481e-02 3*0.0 8.743557750830e-03 -1.921688308660e-03 -8.497604323239e-02 1.189795232323e-02 6.074071229035e-03 -6.137045523849e-02 2.521858896609e-02
|
||||
3*0.0 -9.158945206335e-03 2.115148133203e-03 5.170903921870e-02 -9.126309036004e-03 -6.912815346000e-03 5.091999766592e-02 -2.437970329696e-02 3*0.0 8.480611217088e-03 -1.862192739158e-03 -8.337302632325e-02 1.155847953128e-02 5.906215243297e-03 -5.991084967471e-02 2.456300551129e-02
|
||||
3*0.0 -8.932574179686e-03 2.052466473614e-03 5.095344497718e-02 -8.913171601206e-03 -6.734815612783e-03 4.991860452156e-02 -2.382973343345e-02 3*0.0 8.224594131486e-03 -1.804698603276e-03 -8.179024068055e-02 1.122700619248e-02 5.743137133875e-03 -5.847727235697e-02 2.392172398609e-02
|
||||
3*0.0 -8.710965663591e-03 1.991588296610e-03 5.020341288546e-02 -8.704200655876e-03 -6.561125261526e-03 4.893161976733e-02 -2.329012653802e-02 3*0.0 7.975370792781e-03 -1.749143133395e-03 -8.022765657023e-02 1.090337716514e-02 5.584722225223e-03 -5.706943344462e-02 2.329449886810e-02
|
||||
3*0.0 -8.494044299537e-03 1.932468423254e-03 4.945903044020e-02 -8.499312149070e-03 -6.391655073068e-03 4.795891780364e-02 -2.276073831746e-02 3*0.0 7.732806662005e-03 -1.695465258090e-03 -7.868523690629e-02 1.058743959428e-02 5.430857693208e-03 -5.568704219577e-02 2.268108711075e-02
|
||||
3*0.0 -8.281733515964e-03 1.875059063862e-03 4.872038795539e-02 -8.298429250225e-03 -6.226315757378e-03 4.700041608850e-02 -2.224140902614e-02 3*0.0 7.496768408212e-03 -1.643605565427e-03 -7.716293750116e-02 1.027904289695e-02 5.281432565389e-03 -5.432980711501e-02 2.208124817318e-02
|
||||
3*0.0 -8.073959831072e-03 1.819313080263e-03 4.798755955613e-02 -8.101520796942e-03 -6.065024016768e-03 4.605602229652e-02 -2.173200934751e-02 3*0.0 7.267123951466e-03 -1.593506266760e-03 -7.566070731171e-02 9.978038747047e-03 5.136337719957e-03 -5.299743609678e-02 2.149474404765e-02
|
||||
3*0.0 -7.870649440125e-03 1.765188533602e-03 4.726062032318e-02 -7.908491911293e-03 -5.907696743597e-03 4.512562370473e-02 -2.123239047873e-02 3*0.0 7.043742503158e-03 -1.545111161023e-03 -7.417848868077e-02 9.684281059552e-03 4.995465883381e-03 -5.168963656471e-02 2.092133928466e-02
|
||||
3*0.0 -7.671730068479e-03 1.712639608772e-03 4.653963794343e-02 -7.719333776859e-03 -5.754253361082e-03 4.420912159562e-02 -2.074242199168e-02 3*0.0 6.826494603713e-03 -1.498365599535e-03 -7.271621757423e-02 9.397625974293e-03 4.858711626827e-03 -5.040611560668e-02 2.036080101574e-02
|
||||
3*0.0 -7.477128261047e-03 1.661626178451e-03 4.582467377628e-02 -7.533929810594e-03 -5.604607656010e-03 4.330641165296e-02 -2.026194310569e-02 3*0.0 6.615252157782e-03 -1.453216451306e-03 -7.127382381373e-02 9.117931839225e-03 4.725971361395e-03 -4.914658010596e-02 1.981289897405e-02
|
||||
3*0.0 -7.286773153046e-03 1.612107491645e-03 4.511580621580e-02 -7.352236890963e-03 -5.458681455143e-03 4.241737712433e-02 -1.979082504351e-02 3*0.0 6.409888466982e-03 -1.409612068861e-03 -6.985123130488e-02 8.845059193277e-03 4.597143332226e-03 -4.791073686829e-02 1.927740551287e-02
|
||||
3*0.0 -7.100594394286e-03 1.564041418374e-03 4.441308402009e-02 -7.174203982748e-03 -5.316397795906e-03 4.154190035293e-02 -1.932892786152e-02 3*0.0 6.210278260260e-03 -1.367502254577e-03 -6.844835826110e-02 8.578870748767e-03 4.472127611536e-03 -4.669829274499e-02 1.875409562194e-02
|
||||
3*0.0 -6.918520945024e-03 1.517388461096e-03 4.371655800097e-02 -6.999786667285e-03 -5.177678050451e-03 4.067990188365e-02 -1.887611276510e-02 3*0.0 6.016297721953e-03 -1.326838227529e-03 -6.706511742299e-02 8.319231373428e-03 4.350826090613e-03 -4.550895475231e-02 1.824274694184e-02
|
||||
3*0.0 -6.740483279802e-03 1.472111445699e-03 4.302628909820e-02 -6.828898507673e-03 -5.042444158991e-03 3.983125331758e-02 -1.843224131554e-02 3*0.0 5.827824517623e-03 -1.287572590860e-03 -6.570141627342e-02 8.066008072059e-03 4.233142470841e-03 -4.434243018682e-02 1.774313977646e-02
|
||||
3*0.0 -6.566413152440e-03 1.428173526587e-03 4.234231783179e-02 -6.661484019338e-03 -4.910623332858e-03 3.899582390301e-02 -1.799717453921e-02 3*0.0 5.644737817727e-03 -1.249659299659e-03 -6.435715724814e-02 7.819069967835e-03 4.118982253785e-03 -4.319842673714e-02 1.725505710347e-02
|
||||
3*0.0 -6.396242990948e-03 1.385534975271e-03 4.166469600664e-02 -6.497526117505e-03 -4.782142541184e-03 3.817353935694e-02 -1.757079008093e-02 3*0.0 5.466918319201e-03 -1.213053629366e-03 -6.303223794212e-02 7.578288283288e-03 4.008252730391e-03 -4.207665259191e-02 1.677828458312e-02
|
||||
3*0.0 -6.229904096875e-03 1.344163470855e-03 4.099345935823e-02 -6.336917321216e-03 -4.656925080781e-03 3.736424639930e-02 -1.715293705885e-02 3*0.0 5.294248265026e-03 -1.177712144687e-03 -6.172655131153e-02 7.343536320985e-03 3.900862969336e-03 -4.097681654424e-02 1.631261056518e-02
|
||||
3*0.0 -6.067330429094e-03 1.304024631562e-03 4.032866075747e-02 -6.179610610178e-03 -4.534901535365e-03 3.656782966604e-02 -1.674348474040e-02 3*0.0 5.126611461833e-03 -1.143592669022e-03 -6.043998587141e-02 7.114689443933e-03 3.796723804589e-03 -3.989862809242e-02 1.585782609419e-02
|
||||
3*0.0 -5.908456629762e-03 1.265081309760e-03 3.967031579547e-02 -6.025588747410e-03 -4.416003363341e-03 3.578420112913e-02 -1.634231462482e-02 3*0.0 4.963893295635e-03 -1.110654254419e-03 -5.917242588912e-02 6.891625055710e-03 3.695747822205e-03 -3.884179753730e-02 1.541372491315e-02
|
||||
3*0.0 -5.753216109229e-03 1.227302933238e-03 3.901846280326e-02 -5.874764454461e-03 -4.300157622710e-03 3.501322234797e-02 -1.594928947500e-02 3*0.0 4.805980745727e-03 -1.078857152033e-03 -5.792375157350e-02 6.674222580374e-03 3.597849346409e-03 -3.780603607608e-02 1.498010346553e-02
|
||||
3*0.0 -5.601545427162e-03 1.190656671403e-03 3.837314167615e-02 -5.727085361206e-03 -4.187298467063e-03 3.425476833959e-02 -1.556427277077e-02 3*0.0 4.652762396838e-03 -1.048162783096e-03 -5.669383925986e-02 6.462363442134e-03 3.502944424995e-03 -3.679105589281e-02 1.455676089584e-02
|
||||
3*0.0 -5.453381295311e-03 1.155108346326e-03 3.773437776753e-02 -5.582540285209e-03 -4.077361647718e-03 3.350875329944e-02 -1.518715593385e-02 3*0.0 4.504128449587e-03 -1.018533710409e-03 -5.548256159080e-02 6.255931044837e-03 3.410950814104e-03 -3.579657024554e-02 1.414349904871e-02
|
||||
3*0.0 -5.308658578093e-03 1.120631464966e-03 3.710217856208e-02 -5.441015890707e-03 -3.970276920959e-03 3.277501248099e-02 -1.481779119873e-02 3*0.0 4.359970729311e-03 -9.899336103244e-04 -5.428978769285e-02 6.054810751257e-03 3.321787962386e-03 -3.482229355018e-02 1.374012246650e-02
|
||||
3*0.0 -5.167315443852e-03 1.087196639057e-03 3.647657199933e-02 -5.302463000105e-03 -3.865979062504e-03 3.205342556594e-02 -1.445604197549e-02 3*0.0 4.220182693324e-03 -9.623272452511e-04 -5.311538334906e-02 5.858889862229e-03 3.235376994615e-03 -3.386794146126e-02 1.334643838570e-02
|
||||
3*0.0 -5.029291248204e-03 1.054769178191e-03 3.585759048363e-02 -5.166880016479e-03 -3.764408939439e-03 3.134391603213e-02 -1.410181674657e-02 3*0.0 4.084659436664e-03 -9.356804366491e-04 -5.195921116756e-02 5.668057595631e-03 3.151640694765e-03 -3.293323094941e-02 1.296225673184e-02
|
||||
3*0.0 -4.894524219148e-03 1.023324318902e-03 3.524523482321e-02 -5.034198295785e-03 -3.665502080556e-03 3.064632439294e-02 -1.375497307422e-02 3*0.0 3.953297696389e-03 -9.099600385303e-04 -5.082113074600e-02 5.482205065233e-03 3.070503488608e-03 -3.201788037596e-02 1.258739011331e-02
|
||||
3*0.0 -4.762953575018e-03 9.928347517463e-04 3.463951649604e-02 -4.904354775136e-03 -3.569195638689e-03 2.996053157819e-02 -1.341539709961e-02 3*0.0 3.825995854485e-03 -8.851339114536e-04 -4.970099883214e-02 5.301225259432e-03 2.991891425844e-03 -3.112160956430e-02 1.222165381390e-02
|
||||
3*0.0 -4.634520631703e-03 9.632704709248e-04 3.404045686418e-02 -4.777313395348e-03 -3.475433195532e-03 2.928643372153e-02 -1.308295790699e-02 3*0.0 3.702653939431e-03 -8.611708970118e-04 -4.859866948042e-02 5.125013019892e-03 2.915732161816e-03 -3.024413986854e-02 1.186486578419e-02
|
||||
3*0.0 -4.509165784301e-03 9.346078612176e-04 3.344805605655e-02 -4.653004386934e-03 -3.384151830403e-03 2.862388031305e-02 -1.275753104767e-02 3*0.0 3.583173626482e-03 -8.380407928080e-04 -4.751399420472e-02 4.953465020083e-03 2.841954938823e-03 -2.938519423907e-02 1.151684663184e-02
|
||||
3*0.0 -4.386830355610e-03 9.068222417257e-04 3.286230903651e-02 -4.531378994324e-03 -3.295294251144e-03 2.797275062442e-02 -1.243901183422e-02 3*0.0 3.467458236724e-03 -8.157143279165e-04 -4.644682212721e-02 4.786479743771e-03 2.770490567081e-03 -2.854449728546e-02 1.117741961089e-02
|
||||
3*0.0 -4.267457666641e-03 8.798842550792e-04 3.228324092604e-02 -4.412426002313e-03 -3.208804321216e-03 2.733295173336e-02 -1.212728214347e-02 3*0.0 3.355412734956e-03 -7.941631388237e-04 -4.539700012343e-02 4.623957463430e-03 2.701271405346e-03 -2.772177533646e-02 1.084641060992e-02
|
||||
3*0.0 -4.150990330627e-03 8.537727433580e-04 3.171083975824e-02 -4.296063219214e-03 -3.124625407941e-03 2.670431763906e-02 -1.182221462116e-02 3*0.0 3.246943726443e-03 -7.733597458453e-04 -4.436437296370e-02 4.465800218624e-03 2.634231341234e-03 -2.691675649743e-02 1.052364813938e-02
|
||||
3*0.0 -4.037373182472e-03 8.284626356949e-04 3.114510211062e-02 -4.182292410645e-03 -3.042704483866e-03 2.608674864587e-02 -1.152371418848e-02 3*0.0 3.141959452594e-03 -7.532775300154e-04 -4.334878345074e-02 4.311911794353e-03 2.569305771271e-03 -2.612917070497e-02 1.020896331791e-02
|
||||
3*0.0 -3.926549582627e-03 8.039314192579e-04 3.058601907655e-02 -4.071011159938e-03 -2.962984679874e-03 2.548011402123e-02 -1.123164647332e-02 3*0.0 3.040369785616e-03 -7.338907104419e-04 -4.235007255365e-02 4.162197699377e-03 2.506431580688e-03 -2.535874977915e-02 9.902189857840e-03
|
||||
3*0.0 -3.818464867670e-03 7.801572081961e-04 3.003359208779e-02 -3.962163855055e-03 -2.885413786849e-03 2.488427510465e-02 -1.094590670635e-02 3*0.0 2.942086222188e-03 -7.151743221241e-04 -4.136807953841e-02 4.016565144540e-03 2.445547122999e-03 -2.460522747306e-02 9.603164049789e-03
|
||||
3*0.0 -3.713065889418e-03 7.571159618288e-04 2.948781535192e-02 -3.855771414798e-03 -2.809940345041e-03 2.429911963850e-02 -1.066638533723e-02 3*0.0 2.847021876207e-03 -6.971041942270e-04 -4.040264209468e-02 3.874923021094e-03 2.386592199379e-03 -2.386833951993e-02 9.311724746542e-03
|
||||
3*0.0 -3.610298310966e-03 7.347856457664e-04 2.894867466041e-02 -3.751764682649e-03 -2.736514196599e-03 2.372455253541e-02 -1.039298084131e-02 3*0.0 2.755091470641e-03 -6.796569288081e-04 -3.945359645921e-02 3.737181879039e-03 2.329508037870e-03 -2.314782367792e-02 9.027713346121e-03
|
||||
3*0.0 -3.510110841089e-03 7.131494327532e-04 2.841614986776e-02 -3.650083143475e-03 -2.665084655617e-03 2.316038793783e-02 -1.012557596898e-02 3*0.0 2.666211328543e-03 -6.628098799901e-04 -3.852077753581e-02 3.603253905489e-03 2.274237272439e-03 -2.244341977246e-02 8.750973774162e-03
|
||||
3*0.0 -3.412449490005e-03 6.921847856909e-04 2.789023453208e-02 -3.550677537062e-03 -2.595600991094e-03 2.260652319612e-02 -9.864052314704e-03 3*0.0 2.580299363269e-03 -6.465411335756e-04 -3.760401901184e-02 3.473052903075e-03 2.220723921904e-03 -2.175486973633e-02 8.481352465606e-03
|
||||
3*0.0 -3.317264339101e-03 6.718707773621e-04 2.737090508410e-02 -3.453531997480e-03 -2.528016725387e-03 2.206285453368e-02 -9.608321264727e-03 3*0.0 2.497275067932e-03 -6.308294870971e-04 -3.670315347152e-02 3.346494268395e-03 2.168913368759e-03 -2.108191764752e-02 8.218698345745e-03
|
||||
3*0.0 -3.224506109706e-03 6.521882841728e-04 2.685815776864e-02 -3.358627136552e-03 -2.462286784441e-03 2.152924711472e-02 -9.358282389290e-03 3*0.0 2.417059504142e-03 -6.156544302980e-04 -3.581801250577e-02 3.223494970516e-03 2.118752337915e-03 -2.042430976486e-02 7.962862810674e-03
|
||||
3*0.0 -3.134122491614e-03 6.331197885850e-04 2.635195867205e-02 -3.265861454787e-03 -2.398361599242e-03 2.100556828892e-02 -9.113813874681e-03 3*0.0 2.339575290070e-03 -6.009961260378e-04 -3.494842681899e-02 3.103973529541e-03 2.070188875369e-03 -1.978179456157e-02 7.713699707155e-03
|
||||
3*0.0 -3.046064649220e-03 6.146477624510e-04 2.585227984270e-02 -3.175196605363e-03 -2.336196070095e-03 2.049168516519e-02 -8.874824751164e-03 3*0.0 2.264746587869e-03 -5.868353916169e-04 -3.409422633256e-02 2.987849995249e-03 2.023172326834e-03 -1.915412275673e-02 7.471065311955e-03
|
||||
3*0.0 -2.960285482328e-03 5.967501779678e-04 2.535910939674e-02 -3.086671903209e-03 -2.275747729428e-03 1.998750889944e-02 -8.641228194481e-03 3*0.0 2.192499090495e-03 -5.731536805144e-04 -3.325524028527e-02 2.875045925817e-03 1.977653316342e-03 -1.854104734464e-02 7.234818310670e-03
|
||||
3*0.0 -2.876736536551e-03 5.794151590116e-04 2.487241812752e-02 -3.000171219766e-03 -2.216971682744e-03 1.949287564194e-02 -8.412903208073e-03 3*0.0 2.122760007968e-03 -5.599330645344e-04 -3.243129733064e-02 2.765484366627e-03 1.933583724830e-03 -1.794232362237e-02 7.004819776082e-03
|
||||
3*0.0 -2.795370382683e-03 5.626239785728e-04 2.439217658469e-02 -2.915665455213e-03 -2.159825523832e-03 1.900766855399e-02 -8.189750583377e-03 3*0.0 2.055458053089e-03 -5.471562163528e-04 -3.162222563125e-02 2.659089829173e-03 1.890916668740e-03 -1.735770921524e-02 6.780933146072e-03
|
||||
3*0.0 -2.716140943395e-03 5.463576160518e-04 2.391836560308e-02 -2.833151421460e-03 -2.104267208040e-03 1.853179212314e-02 -7.971685628978e-03 3*0.0 1.990523426678e-03 -5.348063924612e-04 -3.082785295013e-02 2.555788270066e-03 1.849606478640e-03 -1.678696410052e-02 6.563024201114e-03
|
||||
3*0.0 -2.639002541850e-03 5.306024024649e-04 2.345093697248e-02 -2.752576529933e-03 -2.050257125301e-03 1.806509773082e-02 -7.758617023856e-03 3*0.0 1.927887802329e-03 -5.228674165004e-04 -3.004800673918e-02 2.455507070152e-03 1.809608677885e-03 -1.622985062928e-02 6.350961041391e-03
|
||||
3*0.0 -2.563909352042e-03 5.153435079919e-04 2.298987684496e-02 -2.673876292834e-03 -1.997753739154e-03 1.760747913635e-02 -7.550438289570e-03 3*0.0 1.867484310754e-03 -5.113236629779e-04 -2.928251422480e-02 2.358175013746e-03 1.770879961324e-03 -1.568613354652e-02 6.144614063554e-03
|
||||
3*0.0 -2.490817652985e-03 5.005647848869e-04 2.253514021621e-02 -2.597038095204e-03 -1.946717336228e-03 1.715879334587e-02 -7.347054227399e-03 3*0.0 1.809247523710e-03 -5.001600413640e-04 -2.853120249067e-02 2.263722267985e-03 1.733378174088e-03 -1.515558000951e-02 5.943855937152e-03
|
||||
3*0.0 -2.419685269237e-03 4.862496795684e-04 2.208669827250e-02 -2.522062226973e-03 -1.897114686644e-03 1.671895258657e-02 -7.148401764733e-03 3*0.0 1.753113437561e-03 -4.893619805597e-04 -2.779389855784e-02 2.172080362313e-03 1.697062290444e-03 -1.463795960452e-02 5.748561580760e-03
|
||||
3*0.0 -2.350465924245e-03 4.723875922032e-04 2.164451387016e-02 -2.448846583435e-03 -1.848900322719e-03 1.628779934148e-02 -6.954352075072e-03 3*0.0 1.699019456504e-03 -4.789154137311e-04 -2.707042946202e-02 2.083182168096e-03 1.661892392751e-03 -1.413304436194e-02 5.558608137828e-03
|
||||
3*0.0 -2.284408495756e-03 4.589989056239e-04 2.122090387437e-02 -2.377611428953e-03 -1.802720418269e-03 1.587176241781e-02 -6.767459404228e-03 3*0.0 1.646904375470e-03 -4.688067635040e-04 -2.636062232838e-02 1.996961878378e-03 1.627829650523e-03 -1.364060876974e-02 5.373874952281e-03
|
||||
3*0.0 -2.218817553343e-03 4.459927487796e-04 2.079055856005e-02 -2.307868291230e-03 -1.757142183684e-03 1.545736167242e-02 -6.582269128673e-03 3*0.0 1.596708362748e-03 -4.590229275131e-04 -2.566430444360e-02 1.913354987778e-03 1.594836299603e-03 -1.316042978553e-02 5.194243543892e-03
|
||||
3*0.0 -2.155012312737e-03 4.333983681985e-04 2.036632647416e-02 -2.239752410000e-03 -1.712843791061e-03 1.505128088556e-02 -6.401406624475e-03 3*0.0 1.548372942346e-03 -4.495512642986e-04 -2.498130332551e-02 1.832298272536e-03 1.562875621465e-03 -1.269228684703e-02 5.019597583445e-03
|
||||
3*0.0 -2.092955521094e-03 4.212004081083e-04 1.994816043395e-02 -2.173335420557e-03 -1.669797109700e-03 1.465341719637e-02 -6.224831179719e-03 3*0.0 1.501840976109e-03 -4.403795795464e-04 -2.431144679016e-02 1.753729770715e-03 1.531911922663e-03 -1.223596188115e-02 4.849822867719e-03
|
||||
3*0.0 -2.032606783774e-03 4.093870160565e-04 1.953604484826e-02 -2.108534381084e-03 -1.627965814052e-03 1.426365828119e-02 -6.052430007968e-03 3*0.0 1.457056645637e-03 -4.314961126638e-04 -2.365456301649e-02 1.677588762552e-03 1.501910514418e-03 -1.179123931170e-02 4.684807294314e-03
|
||||
3*0.0 -1.973926668993e-03 3.979491257328e-04 1.912989551343e-02 -2.045314789109e-03 -1.587316308460e-03 1.388186104550e-02 -5.884135853910e-03 3*0.0 1.413965434009e-03 -4.228895236864e-04 -2.301048060865e-02 1.603815750978e-03 1.472837692366e-03 -1.135790606570e-02 4.524440836328e-03
|
||||
3*0.0 -1.916877274122e-03 3.868727092050e-04 1.872969634840e-02 -1.983652004309e-03 -1.547816012860e-03 1.350792659941e-02 -5.719855742634e-03 3*0.0 1.372514107342e-03 -4.145488805088e-04 -2.237902865589e-02 1.532352442293e-03 1.444660716475e-03 -1.093575157843e-02 4.368615516921e-03
|
||||
3*0.0 -1.861421310985e-03 3.761467690343e-04 1.833540953663e-02 -1.923522228197e-03 -1.509435237010e-03 1.314174326743e-02 -5.559523405496e-03 3*0.0 1.332650696207e-03 -4.064636464345e-04 -2.176003679029e-02 1.463141727020e-03 1.417347791130e-03 -1.052456779716e-02 4.217225383777e-03
|
||||
3*0.0 -1.807522482034e-03 3.657602128101e-04 1.794698280788e-02 -1.864881442293e-03 -1.472144264008e-03 1.278318990014e-02 -5.403048707609e-03 3*0.0 1.294324476920e-03 -3.986236680390e-04 -2.115333524215e-02 1.396127660918e-03 1.390868045405e-03 -1.012414918372e-02 4.070166483483e-03
|
||||
3*0.0 -1.755143819029e-03 3.557022135495e-04 1.756438799307e-02 -1.807683652382e-03 -1.435910498080e-03 1.243215577039e-02 -5.250355509522e-03 3*0.0 1.257485952735e-03 -3.910191633389e-04 -2.055875489327e-02 1.331255446174e-03 1.365191513521e-03 -9.734292715837e-03 3.927336835841e-03
|
||||
3*0.0 -1.704250816385e-03 3.459629522477e-04 1.718756346755e-02 -1.751948848393e-03 -1.400707102463e-03 1.208852264466e-02 -5.101372769668e-03 3*0.0 1.222086834949e-03 -3.836407102635e-04 -1.997612732805e-02 1.268471412775e-03 1.340289115499e-03 -9.354797887363e-03 3.788636408138e-03
|
||||
3*0.0 -1.654806199223e-03 3.365297006669e-04 1.681646566839e-02 -1.697623015859e-03 -1.366502904661e-03 1.175222237526e-02 -4.956036291354e-03 3*0.0 1.188080023942e-03 -3.764792354211e-04 -1.940528488254e-02 1.207723000050e-03 1.316132638019e-03 -8.985466707357e-03 3.653967089383e-03
|
||||
3*0.0 -1.606777924691e-03 3.273965166559e-04 1.645106178250e-02 -1.644662458500e-03 -1.333272143503e-03 1.142308411232e-02 -4.814251134370e-03 3*0.0 1.155419590170e-03 -3.695260031552e-04 -1.884606069142e-02 1.148958738403e-03 1.292694715484e-03 -8.626103698138e-03 3.523232664531e-03
|
||||
3*0.0 -1.560132334523e-03 3.185532328872e-04 1.609130106471e-02 -1.593040192763e-03 -1.300988541180e-03 1.110100530673e-02 -4.675951549246e-03 3*0.0 1.124060755132e-03 -3.627726048853e-04 -1.829828873302e-02 1.092128231220e-03 1.269948811293e-03 -8.276515892283e-03 3.396338788704e-03
|
||||
3*0.0 -1.514834899082e-03 3.099880902401e-04 1.573714185965e-02 -1.542752029412e-03 -1.269622350398e-03 1.078592118284e-02 -4.541071888818e-03 3*0.0 1.093959872312e-03 -3.562109487261e-04 -1.776180387238e-02 1.037182136970e-03 1.247869199342e-03 -7.936512828642e-03 3.273192961433e-03
|
||||
3*0.0 -1.470854105443e-03 3.016925575518e-04 1.538852881710e-02 -1.493767746833e-03 -1.239150187412e-03 1.047770027494e-02 -4.409553602961e-03 3*0.0 1.065074408132e-03 -3.498332493794e-04 -1.723644190237e-02 9.840721514875e-04 1.226430945738e-03 -7.605906547388e-03 3.153704500927e-03
|
||||
3*0.0 -1.428155797081e-03 2.936594516874e-04 1.504542576778e-02 -1.446025966485e-03 -1.209543939780e-03 1.017624828400e-02 -4.281294634106e-03 3*0.0 1.037362922916e-03 -3.436320182939e-04 -1.672203958309e-02 9.327509904434e-04 1.205609890743e-03 -7.284511584146e-03 3.037784518385e-03
|
||||
3*0.0 -1.386713245648e-03 2.858788658569e-04 1.470778530775e-02 -1.399557983946e-03 -1.180781709712e-03 9.881425879933e-03 -4.156255949583e-03 3*0.0 1.010785051888e-03 -3.376000540869e-04 -1.621843467927e-02 8.831723720115e-04 1.185382630953e-03 -6.972144963235e-03 2.925345892368e-03
|
||||
3*0.0 -1.346491646190e-03 2.783440408266e-04 1.437554254548e-02 -1.354271711523e-03 -1.152839089750e-03 9.593156532117e-03 -4.034357044655e-03 3*0.0 9.853014862047e-04 -3.317304332231e-04 -1.572546599609e-02 8.352909997208e-04 1.165726501705e-03 -6.668626190050e-03 2.816303243234e-03
|
||||
3*0.0 -1.307462094279e-03 2.710463269716e-04 1.404866498791e-02 -1.310187199020e-03 -1.125691581836e-03 9.311334833425e-03 -3.915543256797e-03 3*0.0 9.608739540557e-04 -3.260165009437e-04 -1.524297341318e-02 7.890625455035e-04 1.146619559724e-03 -6.373777242618e-03 2.710572907656e-03
|
||||
3*0.0 -1.269594678914e-03 2.639780890076e-04 1.372709855968e-02 -1.267253005012e-03 -1.099314918588e-03 9.035841775250e-03 -3.799737014115e-03 3*0.0 9.374652018247e-04 -3.204518624427e-04 -1.477079791695e-02 7.444436329353e-04 1.128040566010e-03 -6.087422562374e-03 2.608072913239e-03
|
||||
3*0.0 -1.232861412043e-03 2.571288031350e-04 1.341081348424e-02 -1.225488310697e-03 -1.073689721554e-03 8.766613109283e-03 -3.686884506914e-03 3*0.0 9.150389753337e-04 -3.150303742837e-04 -1.430878163134e-02 7.013918206711e-04 1.109968968970e-03 -5.809389044164e-03 2.508722953224e-03
|
||||
3*0.0 -1.197232845380e-03 2.504965683827e-04 1.309972623984e-02 -1.184822694198e-03 -1.048791645858e-03 8.503494472531e-03 -3.576927973034e-03 3*0.0 8.935600011782e-04 -3.097461360519e-04 -1.385676784692e-02 6.598655860748e-04 1.092384887788e-03 -5.539506025530e-03 2.412444361325e-03
|
||||
3*0.0 -1.162679651500e-03 2.440697702359e-04 1.279382147152e-02 -1.145229715231e-03 -1.024599076467e-03 8.246442468531e-03 -3.469776497190e-03 3*0.0 8.729939681635e-04 -3.045934822374e-04 -1.341460104849e-02 6.198243090457e-04 1.075269096047e-03 -5.277605275286e-03 2.319160086670e-03
|
||||
3*0.0 -1.129177146782e-03 2.378456948392e-04 1.249302557135e-02 -1.106706050292e-03 -1.001093362644e-03 7.995300031260e-03 -3.365406375165e-03 3*0.0 8.533075088531e-04 -2.995669743437e-04 -1.298212694113e-02 5.812282560404e-04 1.058603005603e-03 -5.023520981434e-03 2.228794668890e-03
|
||||
3*0.0 -1.096697967176e-03 2.318134585052e-04 1.219729103058e-02 -1.069267377843e-03 -9.782542913273e-04 7.750016741996e-03 -3.263750127598e-03 3*0.0 8.344681812383e-04 -2.946613932169e-04 -1.255919247482e-02 5.440385642919e-04 1.042368650695e-03 -4.777089738429e-03 2.141274213339e-03
|
||||
3*0.0 -1.065214017952e-03 2.259683997338e-04 1.190658217115e-02 -1.032812201231e-03 -9.560595383870e-04 7.510470616076e-03 -3.164729679294e-03 3*0.0 8.164444505374e-04 -2.898717315907e-04 -1.214564586759e-02 5.082172262244e-04 1.026548672321e-03 -4.538150533840e-03 2.056526366467e-03
|
||||
3*0.0 -1.034700088900e-03 2.203046234199e-04 1.162084205912e-02 -9.973653318007e-04 -9.344903471805e-04 7.276579888949e-03 -3.068310334767e-03 3*0.0 7.992056711332e-04 -2.851931868422e-04 -1.174133662737e-02 4.737270740660e-04 1.011126302857e-03 -4.306544734419e-03 1.974480291355e-03
|
||||
3*0.0 -1.005131233773e-03 2.148162099198e-04 1.134001183881e-02 -9.628914761637e-04 -9.135314549244e-04 7.048240959627e-03 -2.974430683899e-03 3*0.0 7.827220686565e-04 -2.806211539538e-04 -1.134611557233e-02 4.405317646568e-04 9.960853509277e-04 -4.082116071608e-03 1.895066643406e-03
|
||||
3*0.0 -9.764828712034e-04 2.094965145081e-04 1.106405527197e-02 -9.293827310453e-04 -8.931601171153e-04 6.825358870793e-03 -2.883026209297e-03 3*0.0 7.669647222234e-04 -2.761512186770e-04 -1.095983485009e-02 4.085957644551e-04 9.814101865334e-04 -3.864710626526e-03 1.818217546220e-03
|
||||
3*0.0 -9.487297138049e-04 2.043389653340e-04 1.079291824239e-02 -8.968036581226e-04 -8.733603831238e-04 6.607854411745e-03 -2.794043568017e-03 3*0.0 7.519055468328e-04 -2.717791508922e-04 -1.058234795552e-02 3.778843347386e-04 9.670857264261e-04 -3.654176814430e-03 1.743866567640e-03
|
||||
3*0.0 -9.218487618347e-04 1.993395985361e-04 1.052653815285e-02 -8.651510068118e-04 -8.541150064123e-04 6.395613139372e-03 -2.707449817655e-03 3*0.0 7.375172759311e-04 -2.675008981618e-04 -1.021350974736e-02 3.483635170028e-04 9.530974197401e-04 -3.450365368704e-03 1.671948695986e-03
|
||||
3*0.0 -8.958152683408e-04 1.944944955795e-04 1.026487227608e-02 -8.343553189410e-04 -8.354059696877e-04 6.188552981219e-03 -2.623164890418e-03 3*0.0 7.237734441495e-04 -2.633125794700e-04 -9.853176463627e-03 3.200001185542e-04 9.394312338730e-04 -3.253129324392e-03 1.602400316483e-03
|
||||
3*0.0 -8.706094354366e-04 1.897956797673e-04 1.000786243848e-02 -8.044693577947e-04 -8.172200902816e-04 5.986581680960e-03 -2.541159234509e-03 3*0.0 7.106483702205e-04 -2.592104791470e-04 -9.501205735858e-03 2.927616982990e-04 9.260736406196e-04 -3.062324001279e-03 1.535159187886e-03
|
||||
3*0.0 -8.462047393010e-04 1.852388370350e-04 9.755472541546e-03 -7.754109612231e-04 -7.995348488568e-04 5.789614523886e-03 -2.461352383229e-03 3*0.0 6.981171400774e-04 -2.551910409715e-04 -9.157456602193e-03 2.666165527269e-04 9.130116025562e-04 -2.877806986580e-03 1.470164419302e-03
|
||||
3*0.0 -8.225823476198e-04 1.808171092231e-04 9.507646742403e-03 -7.472240697091e-04 -7.823420854400e-04 5.597597367228e-03 -2.383743951059e-03 3*0.0 6.861555901435e-04 -2.512508624486e-04 -8.821789519395e-03 2.415337020875e-04 9.002325596744e-04 -2.699438117220e-03 1.407356447231e-03
|
||||
3*0.0 -7.997195798734e-04 1.765302648577e-04 9.264321338915e-03 -7.198272316073e-04 -7.656230700815e-04 5.410379938047e-03 -2.308245928620e-03 3*0.0 6.747402908141e-04 -2.473866892577e-04 -8.494066373778e-03 2.174828767612e-04 8.877244162654e-04 -2.527079461758e-03 1.346677012810e-03
|
||||
3*0.0 -7.775955261763e-04 1.723726372108e-04 9.025449846703e-03 -6.932197434731e-04 -7.493622087683e-04 5.227887704810e-03 -2.234813289507e-03 3*0.0 6.638485301355e-04 -2.435954098670e-04 -8.174150491111e-03 1.944345038217e-04 8.754755280512e-04 -2.360595301959e-03 1.288069139278e-03
|
||||
3*0.0 -7.561885374376e-04 1.683366141536e-04 8.790996057866e-03 -6.673905043255e-04 -7.335450440710e-04 5.050078232629e-03 -2.163410838551e-03 3*0.0 6.534582976855e-04 -2.398740503108e-04 -7.861906645518e-03 1.723596937901e-04 8.634746895624e-04 -2.199852114032e-03 1.231477109660e-03
|
||||
3*0.0 -7.354807796166e-04 1.644199513877e-04 8.560883740719e-03 -6.423475495043e-04 -7.181599795716e-04 4.876836511156e-03 -2.093999431647e-03 3*0.0 6.435482686583e-04 -2.362197691248e-04 -7.557201067403e-03 1.512302275798e-04 8.517111217622e-04 -2.044718549575e-03 1.176846444678e-03
|
||||
3*0.0 -7.154508310906e-04 1.606194871663e-04 8.335085320808e-03 -6.180208732142e-04 -7.031919818770e-04 4.708088216858e-03 -2.026510289753e-03 3*0.0 6.340977881570e-04 -2.326298524355e-04 -7.259901450447e-03 1.310185436303e-04 8.401744599132e-04 -1.895065416218e-03 1.124123880889e-03
|
||||
3*0.0 -6.960793586036e-04 1.569301045284e-04 8.113523664264e-03 -5.944286985672e-04 -6.886258462390e-04 4.543737315457e-03 -1.960915649943e-03 3*0.0 6.250868556963e-04 -2.291017092015e-04 -6.969876957677e-03 1.116977252303e-04 8.288547416862e-04 -1.750765658006e-03 1.073257349051e-03
|
||||
3*0.0 -6.773486230086e-04 1.533470233765e-04 7.896174795789e-03 -5.715544221932e-04 -6.744525920936e-04 4.383718447342e-03 -1.897173525791e-03 3*0.0 6.164961099188e-04 -2.256328665999e-04 -6.686998226673e-03 9.324148802717e-05 8.177423955100e-04 -1.611694335528e-03 1.024195952728e-03
|
||||
3*0.0 -6.592391068485e-04 1.498683584928e-04 7.682967652133e-03 -5.493615886518e-04 -6.606571550191e-04 4.227943213654e-03 -1.835233191587e-03 3*0.0 6.083068135254e-04 -2.222209655577e-04 -6.411137373912e-03 7.562416772341e-05 8.068282291583e-04 -1.477728605816e-03 9.768899471312e-04
|
||||
3*0.0 -6.417338155456e-04 1.464894742298e-04 7.473857160071e-03 -5.278545015004e-04 -6.472287530809e-04 4.076329259009e-03 -1.775055237992e-03 3*0.0 6.005008384234e-04 -2.188637564210e-04 -6.142167998294e-03 5.882070795727e-05 7.961034185737e-04 -1.348747702022e-03 9.312907181937e-04
|
||||
3*0.0 -6.248131000000e-04 1.432082870538e-04 7.268791710384e-03 -5.069916151644e-04 -6.341529152637e-04 3.928803569176e-03 -1.716604206132e-03 3*0.0 5.930606510933e-04 -2.155590947612e-04 -5.879965183869e-03 4.280664836746e-05 7.855594969252e-04 -1.224632912906e-03 8.873507618927e-04
|
||||
3*0.0 -6.084617825533e-04 1.400182991854e-04 7.067724320210e-03 -4.867713161574e-04 -6.214206932899e-04 3.785289371514e-03 -1.659822051449e-03 3*0.0 5.859692981754e-04 -2.123049373133e-04 -5.624405501803e-03 2.755811283999e-05 7.751883438983e-04 -1.105267562134e-03 8.450236638118e-04
|
||||
3*0.0 -5.926623616297e-04 1.369174887172e-04 6.870604263215e-03 -4.671963277426e-04 -6.090205182759e-04 3.645720324212e-03 -1.604690006433e-03 3*0.0 5.792103922779e-04 -2.090993380433e-04 -5.375367011592e-03 1.305179793592e-05 7.649821752138e-04 -9.905369874129e-04 8.042640789481e-04
|
||||
3*0.0 -5.773987523944e-04 1.339047203599e-04 6.677356405821e-03 -4.482436461290e-04 -5.969415244895e-04 3.509994735783e-03 -1.551169232908e-03 3*0.0 5.727680980070e-04 -2.059404443409e-04 -5.132729261572e-03 -7.350385013331e-07 7.549335323745e-04 -8.803285194746e-04 7.650277117664e-04
|
||||
3*0.0 -5.626533874645e-04 1.309774956534e-04 6.487960899495e-03 -4.298413465246e-04 -5.851714924027e-04 3.378039409516e-03 -1.499192241087e-03 3*0.0 5.666271182200e-04 -2.028264933347e-04 -4.896373288730e-03 -1.382458856070e-05 7.450352726364e-04 -7.745314609225e-04 7.272712965000e-04
|
||||
3*0.0 -5.484127061654e-04 1.281281816036e-04 6.302358570462e-03 -4.120650593504e-04 -5.737030045491e-04 3.249808535656e-03 -1.448757196490e-03 3*0.0 5.607726805023e-04 -1.997558083268e-04 -4.666181617853e-03 -2.623850530150e-05 7.352805592022e-04 -6.730370649574e-04 6.909525777003e-04
|
||||
3*0.0 -5.346599229555e-04 1.253570532066e-04 6.120492899471e-03 -3.948533687661e-04 -5.625241513286e-04 3.125212920022e-03 -1.399810813841e-03 3*0.0 5.551905238666e-04 -1.967267953428e-04 -4.442038260039e-03 -3.799791361641e-05 7.256628516342e-04 -5.757385139949e-04 6.560302910355e-04
|
||||
3*0.0 -5.213795854312e-04 1.226611394505e-04 5.942316395628e-03 -3.781848931128e-04 -5.516239205405e-04 3.004173488945e-03 -1.352313314494e-03 3*0.0 5.498668856779e-04 -1.937379397946e-04 -4.223828710585e-03 -4.912342092101e-05 7.161758964848e-04 -4.825308981891e-04 6.224641443397e-04
|
||||
3*0.0 -5.085581832499e-04 1.200375031972e-04 5.767782001365e-03 -3.620551724433e-04 -5.409976993210e-04 2.886643251328e-03 -1.306241140313e-03 3*0.0 5.447884888004e-04 -1.907878032536e-04 -4.011439946284e-03 -5.963512767126e-05 7.068137181408e-04 -3.933111938749e-04 5.902147989122e-04
|
||||
3*0.0 -4.961819221710e-04 1.174835082701e-04 5.596832677327e-03 -3.464744003928e-04 -5.306329019173e-04 2.772528020445e-03 -1.261558547774e-03 3*0.0 5.399425289687e-04 -1.878750203300e-04 -3.804760422153e-03 -6.955263771070e-05 6.975706098795e-04 -3.079782419419e-04 5.592438510671e-04
|
||||
3*0.0 -4.842356250837e-04 1.149979236510e-04 5.429412282534e-03 -3.313879105409e-04 -5.205206017065e-04 2.661757587812e-03 -1.218215133924e-03 3*0.0 5.353166623819e-04 -1.849982956560e-04 -3.603680067610e-03 -7.889506844887e-05 6.884411251334e-04 -2.264327261518e-04 5.295138139345e-04
|
||||
3*0.0 -4.727061397539e-04 1.125759939489e-04 5.265490922337e-03 -3.168224593324e-04 -5.106533676468e-04 2.554272142532e-03 -1.176194906626e-03 3*0.0 5.308989935196e-04 -1.821564009709e-04 -3.408090282120e-03 -8.768106087276e-05 6.794200689616e-04 -1.485771514121e-04 5.009880995124e-04
|
||||
3*0.0 -4.615802447759e-04 1.102173615851e-04 5.105006400075e-03 -3.027356305528e-04 -5.010227365230e-04 2.450015855245e-03 -1.135464105757e-03 3*0.0 5.266780631801e-04 -1.793481723028e-04 -3.217883930340e-03 -9.592878939267e-05 6.705024897232e-04 -7.431582201610e-05 4.736310009691e-04
|
||||
3*0.0 -4.508447408798e-04 1.079182239114e-04 4.947909477291e-03 -2.891312134962e-04 -4.916203916615e-04 2.348910826384e-03 -1.095982451825e-03 3*0.0 5.226428367385e-04 -1.765725072477e-04 -3.032955336772e-03 -1.036559715246e-04 6.616836709520e-04 -3.554819861303e-06 4.474076751962e-04
|
||||
3*0.0 -4.404866981766e-04 1.056786107351e-04 4.794154208696e-03 -2.759693342300e-04 -4.824381602358e-04 2.250882182091e-03 -1.057721058549e-03 3*0.0 5.187826926255e-04 -1.738283623395e-04 -2.853200279962e-03 -1.108798774103e-04 6.529591234277e-04 6.379801734312e-05 4.222841256116e-04
|
||||
3*0.0 -4.304946885497e-04 1.034940224492e-04 4.643688532112e-03 -2.632808743059e-04 -4.734688345290e-04 2.155883228261e-03 -1.020650829191e-03 3*0.0 5.150874110234e-04 -1.711147505121e-04 -2.678515986235e-03 -1.176173391774e-04 6.443245774425e-04 1.278331178702e-04 3.982271852119e-04
|
||||
3*0.0 -4.208577415205e-04 1.013642576648e-04 4.496463328614e-03 -2.510411030143e-04 -4.647070550263e-04 2.063833287123e-03 -9.847475066202e-04 3*0.0 5.115471627803e-04 -1.684307386474e-04 -2.508801123018e-03 -1.238847601408e-04 6.357759752576e-04 1.886391977599e-04 3.752044998735e-04
|
||||
3*0.0 -4.115615151330e-04 9.928624229333e-05 4.352432868011e-03 -2.392229232872e-04 -4.561422151111e-04 1.974689025618e-03 -9.499661376672e-04 3*0.0 5.081524985396e-04 -1.657754452098e-04 -2.343955791751e-03 -1.296981238470e-04 6.273094637500e-04 2.463032825853e-04 3.531845119013e-04
|
||||
3*0.0 -4.025958339603e-04 9.725886267959e-05 4.211543599743e-03 -2.278167987477e-04 -4.477713474426e-04 1.888369251959e-03 -9.162990883705e-04 3*0.0 5.048943380836e-04 -1.631480379627e-04 -2.183881520398e-03 -1.350730029639e-04 6.189213872432e-04 3.009107291906e-04 3.321364438251e-04
|
||||
3*0.0 -3.939498635226e-04 9.527997362272e-05 4.073761278843e-03 -2.168242886907e-04 -4.395839989471e-04 1.804829425419e-03 -8.837018757999e-04 3*0.0 5.017639598902e-04 -1.605477317654e-04 -2.028481255602e-03 -1.400245680169e-04 6.106082805213e-04 3.525452473936e-04 3.120302824410e-04
|
||||
3*0.0 -3.856128137349e-04 9.334825062574e-05 3.939019101530e-03 -2.062259989349e-04 -4.315754916295e-04 1.723986556914e-03 -8.521513024376e-04 3*0.0 4.987529909001e-04 -1.579737864484e-04 -1.877659354468e-03 -1.445675959737e-04 6.023668620222e-04 4.012889216416e-04 2.928367630982e-04
|
||||
3*0.0 -3.775742286905e-04 9.146065963354e-05 3.807281713132e-03 -1.960284292868e-04 -4.237407975955e-04 1.645813481383e-03 -8.216252306099e-04 3*0.0 4.958533964928e-04 -1.554255047637e-04 -1.731321576018e-03 -1.487164786793e-04 5.941940272073e-04 4.472222326148e-04 2.745273542289e-04
|
||||
3*0.0 -3.698219560150e-04 8.961724503887e-05 3.678503724414e-03 -1.861854184314e-04 -4.160708296819e-04 1.570225254980e-03 -7.920828707704e-04 3*0.0 4.930574706709e-04 -1.529022304097e-04 -1.589375072322e-03 -1.524852311432e-04 5.860868421051e-04 4.904240787683e-04 2.570742421208e-04
|
||||
3*0.0 -3.623492955499e-04 8.781589576630e-05 3.552625294270e-03 -1.767244189021e-04 -4.085637546736e-04 1.497180369241e-03 -7.635171101970e-04 3*0.0 4.903578264479e-04 -1.504033461262e-04 -1.451728379318e-03 -1.558874996799e-04 5.780425370242e-04 5.309717978048e-04 2.404503159297e-04
|
||||
3*0.0 -3.551440513036e-04 8.605608525888e-05 3.429608904382e-03 -1.675985714367e-04 -4.012108185016e-04 1.426601510562e-03 -7.358856450540e-04 3*0.0 4.877473864410e-04 -1.479282718595e-04 -1.318291407342e-03 -1.589365699063e-04 5.700585004349e-04 5.689411880721e-04 2.246291529322e-04
|
||||
3*0.0 -3.481988138945e-04 8.433419919455e-05 3.309408332867e-03 -1.588468070630e-04 -3.940086331936e-04 1.358451627639e-03 -7.091847425599e-04 3*0.0 4.852193736632e-04 -1.454764629946e-04 -1.188975431389e-03 -1.616453745948e-04 5.621322730146e-04 6.044065298760e-04 2.095850040149e-04
|
||||
3*0.0 -3.415018967208e-04 8.264956754110e-05 3.191984200452e-03 -1.504189141842e-04 -3.869485584373e-04 1.292676013384e-03 -6.833582556653e-04 3*0.0 4.827673025157e-04 -1.430474086516e-04 -1.063693081102e-03 -1.640265013875e-04 5.542615418548e-04 6.374406067054e-04 1.952927794008e-04
|
||||
3*0.0 -3.350457138263e-04 8.100227805762e-05 3.077272470461e-03 -1.423228667034e-04 -3.800297276024e-04 1.229208690985e-03 -6.584171683798e-04 3*0.0 4.803849699759e-04 -1.406406300470e-04 -9.423583305240e-04 -1.660922003701e-04 5.464441348263e-04 6.681147263593e-04 1.817280346085e-04
|
||||
3*0.0 -3.288221331988e-04 7.938975969374e-05 2.965244954043e-03 -1.345393665007e-04 -3.732465205803e-04 1.168010795708e-03 -6.343095635561e-04 3*0.0 4.780664469800e-04 -1.382556789145e-04 -8.248864876046e-04 -1.678543915091e-04 5.386780151008e-04 6.964987419726e-04 1.688669566453e-04
|
||||
3*0.0 -3.228218203310e-04 7.781148120269e-05 2.855846801844e-03 -1.270671069262e-04 -3.665919260813e-04 1.109007822023e-03 -6.110328922467e-04 3*0.0 4.758060699978e-04 -1.358921359860e-04 -7.111941834998e-04 -1.693246719538e-04 5.309612758238e-04 7.226610729334e-04 1.566863504298e-04
|
||||
3*0.0 -3.170370216944e-04 7.626594433322e-05 2.749039066470e-03 -1.198982803370e-04 -3.600623787429e-04 1.052166297896e-03 -5.885507439751e-04 3*0.0 4.735984327969e-04 -1.335496095308e-04 -6.011993616556e-04 -1.705143232049e-04 5.232921349378e-04 7.466687256871e-04 1.451636254432e-04
|
||||
3*0.0 -3.114591639805e-04 7.475192741055e-05 2.644772551118e-03 -1.130170886405e-04 -3.536537116878e-04 9.974309946923e-04 -5.668462776491e-04 3*0.0 4.714383783936e-04 -1.312277339488e-04 -4.948212667003e-04 -1.714343181507e-04 5.156689301525e-04 7.685873144200e-04 1.342767826077e-04
|
||||
3*0.0 -3.060810472813e-04 7.326745725302e-05 2.543017560574e-03 -1.064281820903e-04 -3.473620954105e-04 9.447537921618e-04 -5.459004960007e-04 3*0.0 4.693209911896e-04 -1.289261684200e-04 -3.919804331555e-04 -1.720953279736e-04 5.080901140581e-04 7.884810816204e-04 1.240044013888e-04
|
||||
3*0.0 -3.008950785433e-04 7.181259913092e-05 2.443716634658e-03 -1.001187575181e-04 -3.411832411651e-04 8.940965588881e-04 -5.257041126764e-04 3*0.0 4.672415892892e-04 -1.266445956043e-04 -2.925986739753e-04 -1.725077289291e-04 5.005542493799e-04 8.064129185097e-04 1.143256271208e-04
|
||||
3*0.0 -2.958944243571e-04 7.038761586009e-05 2.346819521760e-03 -9.407382186216e-05 -3.351125169045e-04 8.453734343167e-04 -5.062059614793e-04 3*0.0 4.651957169976e-04 -1.243827203932e-04 -1.965990689285e-04 -1.726816089972e-04 4.930600043707e-04 8.224443853399e-04 1.052201585523e-04
|
||||
3*0.0 -2.910712000569e-04 6.898959177957e-05 2.252301983947e-03 -8.828067519836e-05 -3.291464283215e-04 7.985664934745e-04 -4.874060718650e-04 3*0.0 4.631791374959e-04 -1.221402687107e-04 -1.039059528324e-04 -1.726267744102e-04 4.856061483391e-04 8.366357315536e-04 9.666823560958e-05
|
||||
3*0.0 -2.864182034409e-04 6.761829787376e-05 2.160115123539e-03 -8.274038327102e-05 -3.232807995396e-04 7.536156726032e-04 -4.692828488692e-04 3*0.0 4.611878256897e-04 -1.199169863608e-04 -1.444490365042e-05 -1.723527560566e-04 4.781915473091e-04 8.490459158011e-04 8.865062737644e-05
|
||||
3*0.0 -2.819308663545e-04 6.627181250511e-05 2.070220976788e-03 -7.746063219116e-05 -3.175150061487e-04 7.104991065487e-04 -4.518188839792e-04 3*0.0 4.592179612309e-04 -1.177126379220e-04 7.185726953541e-05 -1.718688157650e-04 4.708151598102e-04 8.597326258121e-04 8.114862028764e-05
|
||||
3*0.0 -2.776001483927e-04 6.495018665249e-05 1.982566603216e-03 -7.241703542937e-05 -3.118426883732e-04 6.691544380401e-04 -4.350046823890e-04 3*0.0 4.572659217077e-04 -1.155270056858e-04 1.550725386689e-04 -1.711839524677e-04 4.634760327941e-04 8.687522981173e-04 7.414400653361e-05
|
||||
3*0.0 -2.734214747195e-04 6.365287084536e-05 1.897127355781e-03 -6.760537474271e-05 -3.062606868832e-04 6.295345838543e-04 -4.187987618758e-04 3*0.0 4.553282760020e-04 -1.133598886385e-04 2.352716689689e-04 -1.703069082470e-04 4.561732976756e-04 8.761601376163e-04 6.761907267445e-05
|
||||
3*0.0 -2.693880117109e-04 6.237877788026e-05 1.813850178453e-03 -6.301358098139e-05 -3.007659617346e-04 5.915939152227e-04 -4.031959261936e-04 3*0.0 4.534017778103e-04 -1.112111014847e-04 3.125242312755e-04 -1.692461742656e-04 4.489061664948e-04 8.820101369897e-04 6.155658846070e-05
|
||||
3*0.0 -2.654939315790e-04 6.112756456054e-05 1.732702682485e-03 -5.862942800288e-05 -2.953566952268e-04 5.552915854431e-04 -3.881793747194e-04 3*0.0 4.514833593261e-04 -1.090804737109e-04 3.868986144823e-04 -1.680099965827e-04 4.416739281980e-04 8.863550959503e-04 5.593979585852e-05
|
||||
3*0.0 -2.617343610289e-04 5.989738055709e-05 1.653645437044e-03 -5.446960278893e-05 -2.900296272571e-04 5.206008081536e-04 -3.737273653441e-04 3*0.0 4.495701250812e-04 -1.069678486886e-04 4.584620380476e-04 -1.666063818575e-04 4.344759450350e-04 8.892466403324e-04 5.075239827698e-05
|
||||
3*0.0 -2.581025793550e-04 5.868835108084e-05 1.576638142695e-03 -5.051239371565e-05 -2.847811606158e-04 4.874576724970e-04 -3.598353448142e-04 3*0.0 4.476593459426e-04 -1.048730828147e-04 5.272805645740e-04 -1.650431029422e-04 4.273116490701e-04 8.907352410153e-04 4.597854999494e-05
|
||||
3*0.0 -2.545949019027e-04 5.749997510682e-05 1.501637091734e-03 -4.675889465249e-05 -2.796095569276e-04 4.558382336743e-04 -3.464740744536e-04 3*0.0 4.457484532633e-04 -1.027960446882e-04 5.934191124495e-04 -1.633277043653e-04 4.201805388032e-04 8.908702326790e-04 4.160284578524e-05
|
||||
3*0.0 -2.512047231486e-04 5.633136311487e-05 1.428616624181e-03 -4.319561206356e-05 -2.745122494724e-04 4.256966029761e-04 -3.336377653522e-04 3*0.0 4.438350331834e-04 -1.007366143230e-04 6.569414685414e-04 -1.614675077080e-04 4.130821759001e-04 8.896998323889e-04 3.761031073365e-05
|
||||
3*0.0 -2.479274690719e-04 5.518172132775e-05 1.357531275750e-03 -3.981503359664e-05 -2.694861688314e-04 3.969879392291e-04 -3.213028711865e-04 3*0.0 4.419168210796e-04 -9.869468239356e-05 7.179103009343e-04 -1.594696168746e-04 4.060161820288e-04 8.872711580084e-04 3.398639025020e-05
|
||||
3*0.0 -2.447579001936e-04 5.405116945289e-05 1.288345376884e-03 -3.660285761115e-05 -2.645271042803e-04 3.696711292424e-04 -3.094452171129e-04 3*0.0 4.399916961601e-04 -9.667014951429e-05 7.763871717068e-04 -1.573409232583e-04 3.989822357982e-04 8.836302464362e-04 3.071694027044e-05
|
||||
3*0.0 -2.416924309101e-04 5.293646862085e-05 1.221030168455e-03 -3.359811566603e-05 -2.596369402873e-04 3.437516609726e-04 -2.980858329505e-04 3*0.0 4.380576762021e-04 -9.466292555051e-05 8.324325497372e-04 -1.550881108053e-04 3.919800697989e-04 8.788220716677e-04 2.778821764408e-05
|
||||
3*0.0 -2.387257342464e-04 5.184092797589e-05 1.155546113466e-03 -3.073517726567e-05 -2.548101339162e-04 3.191394329376e-04 -2.871696004438e-04 3*0.0 4.361129124294e-04 -9.267292895992e-05 8.861058235328e-04 -1.527176609769e-04 3.850094677421e-04 8.728905626767e-04 2.518687070869e-05
|
||||
3*0.0 -2.358548025243e-04 5.076227994528e-05 1.091847514754e-03 -2.805607099397e-05 -2.500483511975e-04 2.958101377026e-04 -2.767108889726e-04 3*0.0 4.341556845285e-04 -9.070008616383e-05 9.374653140754e-04 -1.502358576134e-04 3.780702616944e-04 8.658786211186e-04 2.289993004580e-05
|
||||
3*0.0 -2.330730217615e-04 4.970059290963e-05 1.029915352731e-03 -2.551020400718e-05 -2.453449939268e-04 2.737282284408e-04 -2.666772600280e-04 3*0.0 4.321843957981e-04 -8.874433094689e-05 9.865682876761e-04 -1.476487916993e-04 3.711623294073e-04 8.578281388507e-04 2.091479941711e-05
|
||||
3*0.0 -2.303783917857e-04 4.865369040164e-05 9.697086015790e-04 -2.313740781206e-05 -2.407003104506e-04 2.528886083074e-04 -2.570657164276e-04 3*0.0 4.301975684329e-04 -8.680560388445e-05 1.033470968834e-03 -1.449623660329e-04 3.642855917371e-04 8.487800152702e-04 1.921924687818e-05
|
||||
3*0.0 -2.277663198323e-04 4.762246422093e-05 9.111972908432e-04 -2.090799201372e-05 -2.361129057995e-04 2.332272014450e-04 -2.478621990430e-04 3*0.0 4.281938389351e-04 -8.488385179650e-05 1.078228553093e-03 -1.421822998011e-04 3.574400101550e-04 8.387741744688e-04 1.780139606721e-05
|
||||
3*0.0 -2.252334198198e-04 4.660679575046e-05 8.543397341192e-04 -1.882885785892e-05 -2.315805235571e-04 2.147210228486e-04 -2.390574855500e-04 3*0.0 4.261719536553e-04 -8.297902722731e-05 1.120895219886e-03 -1.393141330608e-04 3.506255843443e-04 8.278495822007e-04 1.664971766634e-05
|
||||
3*0.0 -2.227752457520e-04 4.560530423252e-05 7.991165237310e-04 -1.688564420015e-05 -2.271014540278e-04 1.973299817050e-04 -2.306300939269e-04 3*0.0 4.241307644564e-04 -8.109108794972e-05 1.161524145371e-03 -1.363632311299e-04 3.438423498815e-04 8.160442626660e-04 1.575302103320e-05
|
||||
3*0.0 -2.203881072948e-04 4.461803592714e-05 7.454851707962e-04 -1.505761678226e-05 -2.226734786733e-04 1.810278812626e-04 -2.225707012120e-04 3*0.0 4.220692245011e-04 -7.921999649340e-05 1.200167515246e-03 -1.333347888865e-04 3.370903760011e-04 8.033953151061e-04 1.510044599989e-05
|
||||
3*0.0 -2.180704349107e-04 4.364488043016e-05 6.934221551551e-04 -1.338375780359e-05 -2.182971754158e-04 1.657889048817e-04 -2.148768318313e-04 3*0.0 4.199863841581e-04 -7.736571969602e-05 1.236876537532e-03 -1.302338349810e-04 3.303697634406e-04 7.899389302125e-04 1.468145483736e-05
|
||||
3*0.0 -2.158176932143e-04 4.268559542830e-05 6.428888349737e-04 -1.182729998375e-05 -2.139694777576e-04 1.515732295515e-04 -2.075298768967e-04 3*0.0 4.178813870263e-04 -7.552822827661e-05 1.271701455338e-03 -1.270652359606e-04 3.236806423639e-04 7.757104063464e-04 1.448582438231e-05
|
||||
3*0.0 -2.136269384195e-04 4.173921486305e-05 5.938587760291e-04 -1.038834377590e-05 -2.096875753264e-04 1.383438984641e-04 -2.005079253569e-04 3*0.0 4.157534660735e-04 -7.370749643025e-05 1.304691559581e-03 -1.238337003085e-04 3.170231703614e-04 7.607441655708e-04 1.450363832452e-05
|
||||
3*0.0 -2.114948176014e-04 4.080481791603e-05 5.463089041057e-04 -9.073748727048e-06 -2.054538096166e-04 1.260958932757e-04 -1.938272655711e-04 3*0.0 4.136019398878e-04 -7.190350144332e-05 1.335895201674e-03 -1.205437823980e-04 3.103975305242e-04 7.450737694921e-04 1.472527965187e-05
|
||||
3*0.0 -2.094185207251e-04 3.988411277536e-05 5.001942332032e-04 -7.860749153608e-06 -2.012633117251e-04 1.147797136043e-04 -1.874515488643e-04 3*0.0 4.114262090385e-04 -7.011622332850e-05 1.365359806169e-03 -1.171998863654e-04 3.038039295911e-04 7.287319349142e-04 1.514142325091e-05
|
||||
3*0.0 -2.073961896205e-04 3.897517367027e-05 4.554984927209e-04 -6.764770149696e-06 -1.971187627071e-04 1.043736281197e-04 -1.813890904798e-04 3*0.0 4.092257525455e-04 -6.834564447886e-05 1.393131883345e-03 -1.138062699005e-04 2.972425961657e-04 7.117505493015e-04 1.574302866031e-05
|
||||
3*0.0 -2.054238372505e-04 3.807919327214e-05 4.121809165776e-04 -5.761971290669e-06 -1.930143875436e-04 9.484696431879e-05 -1.756113077773e-04 3*0.0 4.070001244531e-04 -6.659174934027e-05 1.419257041757e-03 -1.103670479573e-04 2.907137790026e-04 6.941606860533e-04 1.652133297492e-05
|
||||
3*0.0 -2.034999101818e-04 3.719238117081e-05 3.702343317284e-04 -4.880879637699e-06 -1.889525814333e-04 8.619385584888e-05 -1.701278218942e-04 3*0.0 4.047489505081e-04 -6.485452410140e-05 1.443780000719e-03 -1.068861963868e-04 2.842177453598e-04 6.759926195881e-04 1.746784389812e-05
|
||||
3*0.0 -2.016213782778e-04 3.631915608798e-05 3.296047423624e-04 -4.083167282007e-06 -1.849308621045e-04 7.834550288226e-05 -1.649210947289e-04 3*0.0 4.024719249367e-04 -6.313395640072e-05 1.466744602730e-03 -1.033675554919e-04 2.777547794165e-04 6.572758402395e-04 1.857433293983e-05
|
||||
3*0.0 -1.997850358153e-04 3.545586950115e-05 2.902865184088e-04 -3.371527201060e-06 -1.809481595800e-04 7.131121645183e-05 -1.599680866306e-04 3*0.0 4.001688073223e-04 -6.143003504977e-05 1.488193825841e-03 -9.981483350726e-05 2.713251807537e-04 6.380390689609e-04 1.983282875817e-05
|
||||
3*0.0 -1.979905908238e-04 3.460539922333e-05 2.522379153790e-04 -2.757102434940e-06 -1.770044557649e-04 6.504379151955e-05 -1.552848311552e-04 3*0.0 3.978394195773e-04 -5.974274977210e-05 1.508169795951e-03 -9.623161000390e-05 2.649292628957e-04 6.183102718438e-04 2.123561064210e-05
|
||||
3*0.0 -1.962341865215e-04 3.376326318981e-05 2.154405592629e-04 -2.230205036442e-06 -1.730982787966e-04 5.954237929204e-05 -1.508460953077e-04 3*0.0 3.954836430105e-04 -5.807209095728e-05 1.526713799036e-03 -9.262133922141e-05 2.585673519123e-04 5.981166744448e-04 2.277520213294e-05
|
||||
3*0.0 -1.945149470231e-04 3.293265246328e-05 1.798644584419e-04 -1.795301697509e-06 -1.692284712220e-04 5.476381899256e-05 -1.466557657426e-04 3*0.0 3.931014154858e-04 -5.641804942935e-05 1.543866293305e-03 -8.898735332784e-05 2.522397850780e-04 5.774847759265e-04 2.444436478238e-05
|
||||
3*0.0 -1.928297366489e-04 3.211252282209e-05 1.454832067633e-04 -1.423651959682e-06 -1.653954139030e-04 5.068453254489e-05 -1.426895177936e-04 3*0.0 3.906927286706e-04 -5.478061622911e-05 1.559666921280e-03 -8.533286560920e-05 2.459469095874e-04 5.564403630096e-04 2.623609204466e-05
|
||||
3*0.0 -1.911764538302e-04 3.130232058726e-05 1.122776229512e-04 -1.136159044694e-06 -1.615964358913e-04 4.729252551772e-05 -1.389466799997e-04 3*0.0 3.882576253723e-04 -5.315978240985e-05 1.574154521798e-03 -8.166097358963e-05 2.396890813259e-04 5.350085237379e-04 2.814360330070e-05
|
||||
3*0.0 -1.895547697835e-04 3.050171639509e-05 8.021601226553e-05 -9.249637164567e-07 -1.578326893588e-04 4.455748080356e-05 -1.354248889885e-04 3*0.0 3.857961969595e-04 -5.155553884574e-05 1.587367141934e-03 -7.797466208365e-05 2.334666636927e-04 5.132136610572e-04 3.016033801194e-05
|
||||
3*0.0 -1.879615738894e-04 2.971066095868e-05 4.927646043270e-05 -7.833318074090e-07 -1.541025027332e-04 4.245407976153e-05 -1.321092509315e-04 3*0.0 3.833085808681e-04 -4.996787605251e-05 1.599342048837e-03 -7.427680618144e-05 2.272800264756e-04 4.910795062079e-04 3.227995000163e-05
|
||||
3*0.0 -1.863952694966e-04 2.892973313334e-05 1.943176738863e-05 -7.032212543707e-07 -1.504052501188e-04 4.096685024790e-05 -1.289949847911e-04 3*0.0 3.807949581874e-04 -4.839678401998e-05 1.610115741484e-03 -7.057017416865e-05 2.211295447759e-04 4.686291319327e-04 3.449630186129e-05
|
||||
3*0.0 -1.848546200470e-04 2.815800753568e-05 -9.338714956619e-06 -6.915478492713e-07 -1.467410112621e-04 4.007290049554e-05 -1.260774561992e-04 3*0.0 3.782555513271e-04 -4.684225205572e-05 1.619723962346e-03 -6.685743038185e-05 2.150155979808e-04 4.458849655001e-04 3.680345948040e-05
|
||||
3*0.0 -1.833377548856e-04 2.739577579859e-05 -3.706454209764e-05 -7.394657290171e-07 -1.431078870533e-04 3.974097404192e-05 -1.233446263058e-04 3*0.0 3.756906217609e-04 -4.530426863960e-05 1.628201708958e-03 -6.314113800068e-05 2.089385687845e-04 4.228688015443e-04 3.919568669676e-05
|
||||
3*0.0 -1.818438157760e-04 2.664136292406e-05 -6.375068334212e-05 -8.582487354885e-07 -1.395069954968e-04 3.997573720432e-05 -1.207959573618e-04 3*0.0 3.731004678465e-04 -4.378282128863e-05 1.635583245407e-03 -5.942376177809e-05 2.028988422525e-04 3.996018147230e-04 4.166744006580e-05
|
||||
3*0.0 -1.803695738062e-04 2.589677759499e-05 -8.944469782598e-05 -1.019516630664e-06 -1.359360973590e-04 4.072595170341e-05 -1.184170816712e-04 3*0.0 3.704854227188e-04 -4.227789643177e-05 1.641902113718e-03 -5.570767070965e-05 1.968968049325e-04 3.761045721928e-04 4.421336374641e-05
|
||||
3*0.0 -1.789164677900e-04 2.516029055086e-05 -1.141536020767e-04 -1.242672381854e-06 -1.323963266853e-04 4.200052449346e-05 -1.162023117597e-04 3*0.0 3.678458522554e-04 -4.078947929409e-05 1.647191145149e-03 -5.199514064314e-05 1.909328440058e-04 3.523970459052e-04 4.682828450129e-05
|
||||
3*0.0 -1.774803169138e-04 2.443402235600e-05 -1.379047360433e-04 -1.512227629301e-06 -1.288858142863e-04 4.375544091795e-05 -1.141532735362e-04 3*0.0 3.651821531126e-04 -3.931755379010e-05 1.651482471387e-03 -4.828835682954e-05 1.850073464820e-04 3.284986247225e-04 4.950720680982e-05
|
||||
3*0.0 -1.760625033569e-04 2.371545776365e-05 -1.607235807272e-04 -1.842016350727e-06 -1.254054044442e-04 4.599093755963e-05 -1.122628490588e-04 3*0.0 3.624947508283e-04 -3.786210242568e-05 1.654807535644e-03 -4.458941641649e-05 1.791206984324e-04 3.044281263553e-04 5.224530809126e-05
|
||||
3*0.0 -1.746597943635e-04 2.300512524253e-05 -1.826244388025e-04 -2.206145317004e-06 -1.219542062605e-04 4.867518066930e-05 -1.105137079451e-04 3*0.0 3.597840979937e-04 -3.642310620831e-05 1.657197103659e-03 -4.090033088534e-05 1.732732842631e-04 2.802038091232e-04 5.503793403637e-05
|
||||
3*0.0 -1.732718776609e-04 2.230315854213e-05 -2.036307881014e-04 -2.621787888068e-06 -1.185315279701e-04 5.179684576155e-05 -1.089118533620e-04 3*0.0 3.570506724875e-04 -3.500054456518e-05 1.658681274589e-03 -3.722302843292e-05 1.674654860253e-04 2.558433835394e-04 5.788059404534e-05
|
||||
3*0.0 -1.718973544994e-04 2.160997820962e-05 -2.237665462952e-04 -3.074560825408e-06 -1.151369095349e-04 5.533442988332e-05 -1.074453594477e-04 3*0.0 3.542949757751e-04 -3.359439526887e-05 1.659289491806e-03 -3.355935629885e-05 1.616976827622e-04 2.313640237201e-04 6.076895677015e-05
|
||||
3*0.0 -1.705352991333e-04 2.092360062497e-05 -2.430451313736e-04 -3.568096243357e-06 -1.117698253065e-04 5.928742609055e-05 -1.061089388355e-04 3*0.0 3.515175312682e-04 -3.220463437022e-05 1.659050553586e-03 -2.991108303985e-05 1.559702498908e-04 2.067823786212e-04 6.369884575935e-05
|
||||
3*0.0 -1.691853966540e-04 2.024489480304e-05 -2.614872617129e-04 -4.117323856219e-06 -1.084317582014e-04 6.363331665691e-05 -1.049037074851e-04 3*0.0 3.487188827445e-04 -3.083123613802e-05 1.657992623695e-03 -2.627990075159e-05 1.502835586177e-04 1.821145831022e-04 6.666623520328e-05
|
||||
3*0.0 -1.678458944569e-04 1.957539674975e-05 -2.791272328869e-04 -4.685953088690e-06 -1.051197690527e-04 6.832622722112e-05 -1.038166277225e-04 3*0.0 3.458995928263e-04 -2.947417300533e-05 1.656143241866e-03 -2.266742723947e-05 1.446379753886e-04 1.573762688193e-04 6.966724577795e-05
|
||||
3*0.0 -1.665167271458e-04 1.891425504651e-05 -2.959774434814e-04 -5.292343656849e-06 -1.018366333740e-04 7.337257555688e-05 -1.028510002602e-04 3*0.0 3.430602415144e-04 -2.813341552196e-05 1.653529334176e-03 -1.907520813920e-05 1.390338613681e-04 1.325825749490e-04 7.269814058554e-05
|
||||
3*0.0 -1.651960549317e-04 1.826087357854e-05 -3.120520643489e-04 -5.922726868863e-06 -9.857928605641e-05 7.875539004823e-05 -1.019873879037e-04 3*0.0 3.402014247787e-04 -2.680893231285e-05 1.650177223307e-03 -1.550471898799e-05 1.334715719517e-04 1.077481587440e-04 7.575532118979e-05
|
||||
3*0.0 -1.638832916414e-04 1.761341391412e-05 -3.273604568957e-04 -6.592617674113e-06 -9.534899151340e-05 8.447734516693e-05 -1.012372847999e-04 3*0.0 3.373237532014e-04 -2.550069004224e-05 1.646112638705e-03 -1.195736724767e-05 1.279514563063e-04 8.288720592153e-05 7.883532374438e-05
|
||||
3*0.0 -1.625786597144e-04 1.697398611259e-05 -3.419431362533e-04 -7.299890647497e-06 -9.214488304884e-05 9.050193986096e-05 -1.005880108977e-04 3*0.0 3.344278506725e-04 -2.420865338298e-05 1.641360726632e-03 -8.434494280330e-06 1.224738569402e-04 5.801344088734e-05 8.193481521252e-05
|
||||
3*0.0 -1.612800978294e-04 1.634264939668e-05 -3.558066687731e-04 -8.020801506308e-06 -8.896702909755e-05 9.681290198700e-05 -1.000381860892e-04 3*0.0 3.315143531363e-04 -2.293278499116e-05 1.635946060101e-03 -4.937377277672e-06 1.170391093000e-04 3.314013679510e-05 8.505058967590e-05
|
||||
3*0.0 -1.599886555160e-04 1.571875510629e-05 -3.689774909116e-04 -8.771598551983e-06 -8.581551232887e-05 1.034045562120e-04 -9.957574368725e-05 3*0.0 3.285839073872e-04 -2.167304548539e-05 1.629892648708e-03 -1.467231144820e-06 1.116475413947e-04 8.280125443942e-06 8.817956473132e-05
|
||||
3*0.0 -1.587013675946e-04 1.510213209966e-05 -3.814547816890e-04 -9.550619140552e-06 -8.268943099482e-05 1.102714799911e-04 -9.921184680549e-05 3*0.0 3.256371699127e-04 -2.042939343075e-05 1.623223948352e-03 1.974789660374e-06 1.062994734452e-04 -1.655419298505e-05 9.131877797327e-05
|
||||
3*0.0 -1.574197489157e-04 1.449258555724e-05 -3.932760316536e-04 -1.034201387814e-05 -7.958968702903e-05 1.173774471293e-04 -9.892777688464e-05 3*0.0 3.226748057839e-04 -1.920178532713e-05 1.615962870846e-03 5.387589331729e-06 1.009952175586e-04 -4.135084035158e-05 9.446538356064e-05
|
||||
3*0.0 -1.561419851222e-04 1.389050226183e-05 -4.044466923055e-04 -1.115936156136e-05 -7.651517267339e-05 1.247276266191e-04 -9.872094853662e-05 3*0.0 3.196974875904e-04 -1.799017560153e-05 1.608131793412e-03 8.770128961915e-06 9.573507742635e-05 -6.609825113670e-05 9.761664886599e-05
|
||||
3*0.0 -1.548687581009e-04 1.329526215935e-05 -4.149888720052e-04 -1.200165516032e-05 -7.346619647735e-05 1.323011537837e-04 -9.859622788646e-05 3*0.0 3.167058944196e-04 -1.679451660443e-05 1.599752568072e-03 1.212142483157e-05 9.051934804567e-05 -9.078526317956e-05 1.007699512057e-04
|
||||
3*0.0 -1.535987775095e-04 1.270777591107e-05 -4.249184300640e-04 -1.285605036862e-05 -7.044297619317e-05 1.400917390440e-04 -9.854641082090e-05 3*0.0 3.137007108782e-04 -1.561475860972e-05 1.590846530923e-03 1.544054673951e-05 8.534831546274e-05 -1.154011085689e-04 1.039227746491e-04
|
||||
3*0.0 -1.523312741425e-04 1.212686591601e-05 -4.342500692205e-04 -1.372468874954e-05 -6.744443994303e-05 1.480769960895e-04 -9.855755975102e-05 3*0.0 3.106826261554e-04 -1.445084981811e-05 1.581434511305e-03 1.872661637318e-05 8.022225653743e-05 -1.399354046873e-04 1.070727069058e-04
|
||||
3*0.0 -1.510667127284e-04 1.155213887103e-05 -4.429944289470e-04 -1.462415990412e-05 -6.447205056694e-05 1.562716074803e-04 -9.865116069837e-05 3*0.0 3.076523331259e-04 -1.330273636388e-05 1.571536840854e-03 2.197880571853e-05 7.514143872841e-05 -1.643781454076e-04 1.102174362883e-04
|
||||
3*0.0 -1.498037231389e-04 1.098600881827e-05 -4.511823508229e-04 -1.551571091925e-05 -6.152340697739e-05 1.646252204055e-04 -9.879315733813e-05 3*0.0 3.046105274922e-04 -1.217036232462e-05 1.561173362445e-03 2.519633550855e-05 7.010611989809e-05 -1.887196924383e-04 1.133547487495e-04
|
||||
3*0.0 -1.485427623030e-04 1.042513765538e-05 -4.588105901800e-04 -1.643632570738e-05 -5.860065720918e-05 1.731493174991e-04 -9.900454954509e-05 3*0.0 3.015579069644e-04 -1.105366973395e-05 1.550363439027e-03 2.837847370957e-05 6.511654813638e-05 -2.129507668181e-04 1.164825249930e-04
|
||||
3*0.0 -1.472831788270e-04 9.873215219885e-06 -4.659142837484e-04 -1.735044421295e-05 -5.570223590656e-05 1.818285196991e-04 -9.926289809270e-05 3*0.0 2.984951704767e-04 -9.952598596900e-06 1.539125962342e-03 3.152453404469e-05 6.017296160277e-05 -2.370624405561e-04 1.195987376551e-04
|
||||
3*0.0 -1.460245955228e-04 9.326625980052e-06 -4.724917995538e-04 -1.828781242435e-05 -5.282914027809e-05 1.906520747246e-04 -9.958401034748e-05 3*0.0 2.954230174394e-04 -8.867086907895e-06 1.527479361535e-03 3.463387455346e-05 5.527558838577e-05 -2.610461284182e-04 1.227014485557e-04
|
||||
3*0.0 -1.447677754164e-04 8.786829324799e-06 -4.785612510279e-04 -1.923961480174e-05 -4.998106976814e-05 1.996248482803e-04 -9.994978436566e-05 3*0.0 2.923421470253e-04 -7.797070671090e-06 1.515441611657e-03 3.770589618707e-05 5.042464637929e-05 -2.848935798560e-04 1.257888060194e-04
|
||||
3*0.0 -1.435103836631e-04 8.254002831554e-06 -4.841445907303e-04 -2.018957259869e-05 -4.715639765236e-05 2.087063076542e-04 -1.003629192318e-04 3*0.0 2.892532574897e-04 -6.742483922972e-06 1.503030242055e-03 4.074004143833e-05 4.562034317493e-05 -3.085968710775e-04 1.288590422618e-04
|
||||
3*0.0 -1.422534956956e-04 7.727728953868e-06 -4.892389203643e-04 -2.115236454073e-05 -4.435784526294e-05 2.179165001617e-04 -1.008277152177e-04 3*0.0 2.861570455223e-04 -5.703258757035e-06 1.490262344649e-03 4.373579300580e-05 4.086287596983e-05 -3.321483972585e-04 1.319104708423e-04
|
||||
3*0.0 -1.409969922646e-04 7.208420354878e-06 -4.938882195428e-04 -2.210599782433e-05 -4.158289230366e-05 2.272168388250e-04 -1.013246190069e-04 3*0.0 2.830542056306e-04 -4.679325350401e-06 1.477154582104e-03 4.669267249115e-05 3.615243148923e-05 -3.555408648916e-04 1.349414841812e-04
|
||||
3*0.0 -1.397407283639e-04 6.695145528568e-06 -4.980681667330e-04 -2.308234212519e-05 -3.883414793807e-05 2.366294083979e-04 -1.018681302456e-04 3*0.0 2.799454295536e-04 -3.670611992248e-06 1.463723195889e-03 4.961023912922e-05 3.148918592326e-05 -3.787672842729e-04 1.379505511391e-04
|
||||
3*0.0 -1.384844447298e-04 6.189553654926e-06 -5.018262127480e-04 -2.406088086062e-05 -3.610823897324e-05 2.461118070991e-04 -1.024476755237e-04 3*0.0 2.768314057051e-04 -2.677045113919e-06 1.449984014235e-03 5.248808855009e-05 2.687330487720e-05 -4.018209621231e-04 1.409362146581e-04
|
||||
3*0.0 -1.372279583820e-04 5.688681406800e-06 -5.051437542578e-04 -2.504278409719e-05 -3.340836837190e-05 2.556974922151e-04 -1.030592586006e-04 3*0.0 2.737128186448e-04 -1.698549320573e-06 1.435952459971e-03 5.532585157227e-05 2.230494333477e-05 -4.246954943424e-04 1.438970894632e-04
|
||||
3*0.0 -1.359703197363e-04 5.194780028379e-06 -5.080589368506e-04 -2.602695509616e-05 -3.073187990690e-05 2.653500017761e-04 -1.037118476304e-04 3*0.0 2.705903485775e-04 -7.350474242705e-07 1.421643558264e-03 5.812319302672e-05 1.778424563374e-05 -4.473847588976e-04 1.468318598218e-04
|
||||
3*0.0 -1.347123787042e-04 4.707960143115e-06 -5.105713830387e-04 -2.700903284028e-05 -2.808069762517e-05 2.750570883525e-04 -1.043836275189e-04 3*0.0 2.674646708784e-04 2.135395216302e-07 1.407071944248e-03 6.087981061062e-05 1.331134545341e-05 -4.698829088383e-04 1.497392773621e-04
|
||||
3*0.0 -1.334535205492e-04 4.227488436966e-06 -5.127041573352e-04 -2.798557517906e-05 -2.545352072494e-05 2.848101862838e-04 -1.050865153365e-04 3*0.0 2.643364556443e-04 1.147292186874e-06 1.392251870543e-03 6.359543377056e-05 8.886365813423e-06 -4.921843654432e-04 1.526181589465e-04
|
||||
3*0.0 -1.321944853019e-04 3.754366816177e-06 -5.144588396313e-04 -2.896137575439e-05 -2.285101019115e-05 2.946082693724e-04 -1.058123657891e-04 3*0.0 2.612063672698e-04 2.066292927609e-06 1.377197214673e-03 6.626982261446e-05 4.509419083247e-06 -5.142838114921e-04 1.554673846006e-04
|
||||
3*0.0 -1.309343661391e-04 3.285815623696e-06 -5.158474666756e-04 -2.994656341796e-05 -2.027286228785e-05 3.044593900452e-04 -1.065659040012e-04 3*0.0 2.580750640469e-04 2.970625748695e-06 1.361921486372e-03 6.890276685137e-05 1.806070020118e-07 -5.361761846633e-04 1.582858954962e-04
|
||||
3*0.0 -1.296740652387e-04 2.824054328435e-06 -5.168825004557e-04 -3.093023756346e-05 -1.771988975062e-05 3.143489819563e-04 -1.073388585056e-04 3*0.0 2.549431977891e-04 3.860376265108e-06 1.346437834793e-03 7.149408475898e-05 -4.099979291929e-06 -5.578566710554e-04 1.610726919863e-04
|
||||
3*0.0 -1.284126276702e-04 2.368518380467e-06 -5.175780540228e-04 -3.191171281839e-05 -1.519103521726e-05 3.242540434726e-04 -1.081353876779e-04 3*0.0 2.518114134761e-04 4.735631662540e-06 1.330759055603e-03 7.404362217772e-05 -8.332259222119e-06 -5.793206988300e-04 1.638268316926e-04
|
||||
3*0.0 -1.271504765799e-04 1.919326743883e-06 -5.179441459780e-04 -3.288792590264e-05 -1.268681971249e-05 3.341786371444e-04 -1.089466016246e-04 3*0.0 2.486803489215e-04 5.596480657275e-06 1.314897597987e-03 7.655125153137e-05 -1.251616272629e-05 -6.005639319758e-04 1.665474276421e-04
|
||||
3*0.0 -1.258872633008e-04 1.476363529617e-06 -5.179912509277e-04 -3.386008264012e-05 -1.020704378893e-05 3.441157935274e-04 -1.097763052718e-04 3*0.0 2.455506344611e-04 6.443013455433e-06 1.298865571532e-03 7.901687087319e-05 -1.665163020026e-05 -6.215822641902e-04 1.692336464540e-04
|
||||
3*0.0 -1.246223621363e-04 1.039674152039e-06 -5.177309201321e-04 -3.481781600033e-05 -7.750758244654e-06 3.540549142317e-04 -1.106158317741e-04 3*0.0 2.424228926611e-04 7.275321711657e-06 1.282674753025e-03 8.144040295725e-05 -2.073861243388e-05 -6.423718128797e-04 1.718847065736e-04
|
||||
3*0.0 -1.233581652063e-04 6.085787682077e-07 -5.171691247255e-04 -3.579027667918e-05 -5.320082911685e-06 3.639983824548e-04 -1.114721868529e-04 3*0.0 2.392977380456e-04 8.093498487318e-06 1.266336593141e-03 8.382179433439e-05 -2.477707053941e-05 -6.629289132740e-04 1.744998765545e-04
|
||||
3*0.0 -1.220923072004e-04 1.840260253200e-07 -5.163174361738e-04 -3.674937859344e-05 -2.913353017372e-06 3.739379919973e-04 -1.123407027511e-04 3*0.0 2.361757768437e-04 8.897638208314e-06 1.249862223032e-03 8.616101447207e-05 -2.876697587282e-05 -6.832501126549e-04 1.770784733851e-04
|
||||
3*0.0 -1.208271290010e-04 -2.346814320321e-07 -5.151988700234e-04 -3.770195363652e-05 -5.323062689456e-07 3.838485724764e-04 -1.132151287705e-04 3*0.0 2.330576067535e-04 9.687836622534e-06 1.233262460815e-03 8.845805489787e-05 -3.270830994826e-05 -7.033321646981e-04 1.796198608614e-04
|
||||
3*0.0 -1.195596633425e-04 -6.469960144744e-07 -5.137992006894e-04 -3.864892169678e-05 1.825087079212e-06 3.937657202596e-04 -1.141008660732e-04 3*0.0 2.299438167243e-04 1.046419075704e-05 1.216547817961e-03 9.071292836587e-05 -3.660106434623e-05 -7.231720239239e-04 1.821234480029e-04
|
||||
3*0.0 -1.182920883867e-04 -1.052895615025e-06 -5.121514612253e-04 -3.957568338354e-05 4.158221127416e-06 4.036352609253e-04 -1.149895727406e-04 3*0.0 2.268349867557e-04 1.122679887507e-05 1.199728505590e-03 9.292566804551e-05 -4.044524061573e-05 -7.427668402594e-04 1.845886875114e-04
|
||||
3*0.0 -1.170237679390e-04 -1.454213996159e-06 -5.102405286689e-04 -4.051414826859e-05 6.467551772295e-06 4.134952766792e-04 -1.158862504697e-04 3*0.0 2.237316877119e-04 1.197576043281e-05 1.182814440661e-03 9.509632673240e-05 -4.424085017074e-05 -7.621139537058e-04 1.870150742720e-04
|
||||
3*0.0 -1.157559909249e-04 -1.849779964061e-06 -5.080914059182e-04 -4.144672849534e-05 8.750651494877e-06 4.233240332924e-04 -1.167900384749e-04 3*0.0 2.206344811530e-04 1.271117603619e-05 1.165815252072e-03 9.722497608064e-05 -4.798791418142e-05 -7.812108891138e-04 1.894021438942e-04
|
||||
3*0.0 -1.144872522231e-04 -2.238212301913e-06 -5.057174238815e-04 -4.235893586422e-05 1.101039554118e-05 4.330970194127e-04 -1.176915220017e-04 3*0.0 2.175439191795e-04 1.343314739755e-05 1.148740286659e-03 9.931170585604e-05 -5.168646346030e-05 -8.000553510619e-04 1.917494712938e-04
|
||||
3*0.0 -1.132184545855e-04 -2.621604561951e-06 -5.031135627757e-04 -4.327103971203e-05 1.324444170607e-05 4.428441097748e-04 -1.186015775358e-04 3*0.0 2.144605442931e-04 1.414177729233e-05 1.131598615104e-03 1.013566232099e-04 -5.533653834386e-05 -8.186452188389e-04 1.940566693131e-04
|
||||
3*0.0 -1.119491140092e-04 -2.997682727065e-06 -5.003029405430e-04 -4.416081298246e-05 1.545527868073e-05 4.525265672844e-04 -1.195070531335e-04 3*0.0 2.113848892699e-04 1.483716951584e-05 1.114399037747e-03 1.033598519727e-04 -5.893818856969e-05 -8.369785415263e-04 1.963233873798e-04
|
||||
3*0.0 -1.106799721157e-04 -3.369482223506e-06 -4.972769884281e-04 -4.504974204576e-05 1.764128579931e-05 4.621701556372e-04 -1.204097040877e-04 3*0.0 2.083174770472e-04 1.551942884013e-05 1.097150090303e-03 1.053215319677e-04 -6.249147314965e-05 -8.550535331821e-04 1.985493102020e-04
|
||||
3*0.0 -1.094110796592e-04 -3.735399001127e-06 -4.940546731032e-04 -4.593448001649e-05 1.980264339426e-05 4.717535323836e-04 -1.213169528936e-04 3*0.0 2.052588206239e-04 1.618866097097e-05 1.079860049494e-03 1.072418183432e-04 -6.599646023923e-05 -8.728685681217e-04 2.007341565008e-04
|
||||
3*0.0 -1.081420561816e-04 -4.095303167026e-06 -4.906429903479e-04 -4.680375026099e-05 2.193995406821e-05 4.812780374833e-04 -1.222178990001e-04 3*0.0 2.022094229720e-04 1.684497250507e-05 1.062536938577e-03 1.091208809237e-04 -6.945322700344e-05 -8.904221762966e-04 2.028776777774e-04
|
||||
3*0.0 -1.068733840903e-04 -4.449607262901e-06 -4.870458517370e-04 -4.766034236336e-05 2.405216389165e-05 4.907383970180e-04 -1.231173565679e-04 3*0.0 1.991697769605e-04 1.748847088747e-05 1.045188532796e-03 1.109589035797e-04 -7.286185947941e-05 -9.077130387675e-04 2.049796571150e-04
|
||||
3*0.0 -1.056054850703e-04 -4.798132631686e-06 -4.832747636887e-04 -4.851101327658e-05 2.614002062506e-05 5.001305966512e-04 -1.240133622412e-04 3*0.0 1.961403652908e-04 1.811926436923e-05 1.027822364734e-03 1.127560836143e-04 -7.622245243611e-05 -9.247399832721e-04 2.070399080146e-04
|
||||
3*0.0 -1.043381767946e-04 -5.141435787724e-06 -4.793302578093e-04 -4.934964707467e-05 2.820397331871e-05 5.094529583660e-04 -1.248970869548e-04 3*0.0 1.931216604422e-04 1.873746196539e-05 1.010445729578e-03 1.145126311685e-04 -7.953510923122e-05 -9.415019798850e-04 2.090582732635e-04
|
||||
3*0.0 -1.030718282991e-04 -5.479040758176e-06 -4.752287221147e-04 -5.018424571758e-05 3.024244197531e-05 5.187025614025e-04 -1.257849125872e-04 3*0.0 1.901141246286e-04 1.934317341325e-05 9.930656903022e-04 1.162287686428e-04 -8.279994166566e-05 -9.579981367687e-04 2.110346238361e-04
|
||||
3*0.0 -1.018057040089e-04 -5.810197665308e-06 -4.709754561301e-04 -5.099284385425e-05 3.225781295708e-05 5.278651205752e-04 -1.266547886250e-04 3*0.0 1.871182097645e-04 1.993650913105e-05 9.756890827584e-04 1.179047301350e-04 -8.601706983572e-05 -9.742276960135e-04 2.129688578259e-04
|
||||
3*0.0 -1.005407099838e-04 -6.137441510704e-06 -4.665720917358e-04 -5.179276978720e-05 3.424767168611e-05 5.369625924165e-04 -1.275265971476e-04 3*0.0 1.841343574408e-04 2.051758017693e-05 9.583225206819e-04 1.195407608955e-04 -8.918662198320e-05 -9.901900295669e-04 2.148608994083e-04
|
||||
3*0.0 -9.927684303817e-05 -6.458806849281e-06 -4.620158483711e-04 -5.260228278823e-05 3.621361289205e-05 5.459911175988e-04 -1.283970373224e-04 3*0.0 1.811629989097e-04 2.108649820844e-05 9.409724006141e-04 1.211371167968e-04 -9.230873434374e-05 -1.005884635248e-03 2.167106978332e-04
|
||||
3*0.0 -9.801464579327e-05 -6.774112304268e-06 -4.573455921137e-04 -5.337907195304e-05 3.815519899204e-05 5.548963385378e-04 -1.292463251450e-04 3*0.0 1.782045550783e-04 2.164337544234e-05 9.236449067401e-04 1.226940638202e-04 -9.538355099351e-05 -1.021311132849e-03 2.185182264461e-04
|
||||
3*0.0 -9.675398910397e-05 -7.084760750058e-06 -4.525336530190e-04 -5.415301944261e-05 4.007264321607e-05 5.637328550502e-04 -1.300860961091e-04 3*0.0 1.752594365102e-04 2.218832461495e-05 9.063460156439e-04 1.242118775562e-04 -9.841122369443e-05 -1.036469260318e-03 2.202834817389e-04
|
||||
3*0.0 -9.549412591086e-05 -7.387745474952e-06 -4.476164353165e-04 -5.489214880984e-05 4.196620331235e-05 5.724471440272e-04 -1.309092278956e-04 3*0.0 1.723280434355e-04 2.272145894294e-05 8.890815009809e-04 1.256908427202e-04 -1.013919117381e-04 -1.051358870028e-03 2.220064824270e-04
|
||||
3*0.0 -9.423689560713e-05 -7.687965469796e-06 -4.425619289490e-04 -5.564473623600e-05 4.383443144823e-05 5.811103431971e-04 -1.317368594541e-04 3*0.0 1.694107657682e-04 2.324289208461e-05 8.718569380702e-04 1.271312526826e-04 -1.043257817890e-04 -1.065979925125e-03 2.236872685544e-04
|
||||
3*0.0 -9.298101477333e-05 -7.982208611223e-06 -4.374104230778e-04 -5.636977209312e-05 4.567913282983e-05 5.896548807948e-04 -1.325368307042e-04 3*0.0 1.665079831305e-04 2.375273810168e-05 8.546777084061e-04 1.285334090133e-04 -1.072130077261e-04 -1.080332495953e-03 2.253259006244e-04
|
||||
3*0.0 -9.172785412892e-05 -8.271465685937e-06 -4.321456404638e-04 -5.709960893221e-05 4.749874656602e-05 5.981178016912e-04 -1.333435601797e-04 3*0.0 1.636200648846e-04 2.425111142165e-05 8.375490040911e-04 1.298976210387e-04 -1.100537704845e-04 -1.094416756566e-03 2.269224587566e-04
|
||||
3*0.0 -9.047648457319e-05 -8.555230947861e-06 -4.267908249839e-04 -5.780386047639e-05 4.929512342006e-05 6.064626410933e-04 -1.341257040504e-04 3*0.0 1.607473701704e-04 2.473812680062e-05 8.204758321909e-04 1.312242054136e-04 -1.128482578960e-04 -1.108232981307e-03 2.284770418685e-04
|
||||
3*0.0 -8.922712608064e-05 -8.833667787215e-06 -4.213416246800e-04 -5.849795688996e-05 5.106768055627e-05 6.147067328225e-04 -1.348999891943e-04 3*0.0 1.578902479498e-04 2.521389928675e-05 8.034630190108e-04 1.325134857051e-04 -1.155966645294e-04 -1.121781541468e-03 2.299897668817e-04
|
||||
3*0.0 -8.798083194498e-05 -9.107016506375e-06 -4.158026853291e-04 -5.917664704167e-05 5.281524508869e-05 6.228465737077e-04 -1.356585927204e-04 3*0.0 1.550490370567e-04 2.567854418425e-05 7.865152142981e-04 1.337657919894e-04 -1.182991915308e-04 -1.135062902030e-03 2.314607679519e-04
|
||||
3*0.0 -8.673704434617e-05 -9.375128502968e-06 -4.101817870840e-04 -5.984436117012e-05 5.453940436789e-05 6.308854909562e-04 -1.364047502809e-04 3*0.0 1.522240662532e-04 2.613217701794e-05 7.696368953675e-04 1.349814604616e-04 -1.209560464628e-04 -1.148077618464e-03 2.328901957216e-04
|
||||
3*0.0 -8.549638434126e-05 -9.638695767415e-06 -4.044772737314e-04 -6.049979127599e-05 5.623896287483e-05 6.388162999136e-04 -1.371357329604e-04 3*0.0 1.494156542898e-04 2.657491349845e-05 7.528323711527e-04 1.361608330569e-04 -1.235674431454e-04 -1.160826333611e-03 2.342782165964e-04
|
||||
3*0.0 -8.425871052738e-05 -9.897275495513e-06 -3.987028288591e-04 -6.114607026324e-05 5.791520547017e-05 6.466387755046e-04 -1.378510684491e-04 3*0.0 1.466241099723e-04 2.700686948795e-05 7.361057861851e-04 1.373042570836e-04 -1.261336014950e-04 -1.173309774640e-03 2.356250120423e-04
|
||||
3*0.0 -8.302379823136e-05 -1.015019676343e-05 -3.928674326640e-04 -6.177236640253e-05 5.956760104085e-05 6.543414352970e-04 -1.385555701779e-04 3*0.0 1.438497322321e-04 2.742816096654e-05 7.194611244994e-04 1.384120848688e-04 -1.286547473652e-04 -1.185528750059e-03 2.369307779047e-04
|
||||
3*0.0 -8.179201985029e-05 -1.039853373463e-05 -3.869605159411e-04 -6.238099958238e-05 6.119686229903e-05 6.619295635780e-04 -1.392371729593e-04 3*0.0 1.410928102018e-04 2.783890399925e-05 7.029022134685e-04 1.394846734134e-04 -1.311311123874e-04 -1.197484146810e-03 2.381957237491e-04
|
||||
3*0.0 -8.056435154251e-05 -1.064120351599e-05 -3.810000790122e-04 -6.298464343737e-05 6.280084913453e-05 6.694148747128e-04 -1.399148296578e-04 3*0.0 1.383536232948e-04 2.823921470362e-05 6.864327275670e-04 1.405223840599e-04 -1.335629338116e-04 -1.209176927421e-03 2.394200722205e-04
|
||||
3*0.0 -7.933998993238e-05 -1.087941494087e-05 -3.749868383976e-04 -6.356150695546e-05 6.438220121625e-05 6.767707589305e-04 -1.405642392361e-04 3*0.0 1.356324412888e-04 2.862920921797e-05 6.700561920662e-04 1.415255821697e-04 -1.359504543482e-04 -1.220608127232e-03 2.406040584247e-04
|
||||
3*0.0 -7.811964867511e-05 -1.111367163592e-05 -3.689113964284e-04 -6.414772527394e-05 6.593946639429e-05 6.840308991084e-04 -1.412092114541e-04 3*0.0 1.329295244131e-04 2.900900367026e-05 6.537759866594e-04 1.424946368115e-04 -1.382939220102e-04 -1.231778851676e-03 2.417479293268e-04
|
||||
3*0.0 -7.690341380371e-05 -1.134364964570e-05 -3.627945097846e-04 -6.471600984933e-05 6.747287229688e-05 6.911683355894e-04 -1.418349292526e-04 3*0.0 1.302451234398e-04 2.937871414757e-05 6.375953490205e-04 1.434299204593e-04 -1.405935899565e-04 -1.242690273635e-03 2.428519431703e-04
|
||||
3*0.0 -7.569050499539e-05 -1.156695962089e-05 -3.566431405950e-04 -6.525650405648e-05 6.898393977259e-05 6.981720357353e-04 -1.424388312049e-04 3*0.0 1.275794797779e-04 2.973845666627e-05 6.215173782949e-04 1.443318087006e-04 -1.428497163355e-04 -1.253343630849e-03 2.439163689132e-04
|
||||
3*0.0 -7.448249744765e-05 -1.178713775887e-05 -3.504425659709e-04 -6.579276203346e-05 7.047078479548e-05 7.050748009834e-04 -1.430291014672e-04 3*0.0 1.249328255702e-04 3.008834714277e-05 6.055450385259e-04 1.452006799545e-04 -1.450625641300e-04 -1.263740223392e-03 2.449414856830e-04
|
||||
3*0.0 -7.327871390643e-05 -1.200056845593e-05 -3.442208581973e-04 -6.630819691967e-05 7.193457528541e-05 7.118386281097e-04 -1.436029866967e-04 3*0.0 1.223053837942e-04 3.042850136495e-05 5.896811620142e-04 1.460369151987e-04 -1.472324010034e-04 -1.273881411207e-03 2.459275822478e-04
|
||||
3*0.0 -7.207948197682e-05 -1.221072863223e-05 -3.379630982211e-04 -6.681409922058e-05 7.337514658263e-05 7.184905834571e-04 -1.441612929868e-04 3*0.0 1.196973683648e-04 3.075903496423e-05 5.739284526156e-04 1.468408977059e-04 -1.493594991463e-04 -1.283768611697e-03 2.468749565058e-04
|
||||
3*0.0 -7.088474761131e-05 -1.241650663262e-05 -3.316759350107e-04 -6.730882942680e-05 7.479261584257e-05 7.250227566027e-04 -1.447012598357e-04 3*0.0 1.171089842395e-04 3.108006338826e-05 5.582894889742e-04 1.476130127889e-04 -1.514441351246e-04 -1.293403297382e-03 2.477839149899e-04
|
||||
3*0.0 -6.969515285350e-05 -1.261770666409e-05 -3.253621954000e-04 -6.779032603653e-05 7.618677985600e-05 7.314386305576e-04 -1.452238420270e-04 3*0.0 1.145404275263e-04 3.139170187426e-05 5.427667276937e-04 1.483536475551e-04 -1.534865897293e-04 -1.302786993602e-03 2.486547723890e-04
|
||||
3*0.0 -6.851033522550e-05 -1.281408243788e-05 -3.190355864551e-04 -6.826007328580e-05 7.755812047726e-05 7.377206851119e-04 -1.457332758585e-04 3*0.0 1.119918855939e-04 3.169406542298e-05 5.273625064476e-04 1.490631906686e-04 -1.554871478266e-04 -1.311921276287e-03 2.494878510850e-04
|
||||
3*0.0 -6.733044359502e-05 -1.300604659975e-05 -3.126849824951e-04 -6.870873751443e-05 7.890679602862e-05 7.438938712838e-04 -1.462186766977e-04 3*0.0 1.094635371831e-04 3.198726877337e-05 5.120790470293e-04 1.497420321210e-04 -1.574460982104e-04 -1.320807769773e-03 2.502834807044e-04
|
||||
3*0.0 -6.615557065087e-05 -1.319346587064e-05 -3.063239678197e-04 -6.914370769047e-05 8.023264325135e-05 7.499352542910e-04 -1.466889206976e-04 3*0.0 1.069555525208e-04 3.227142637780e-05 4.969184583418e-04 1.503905630102e-04 -1.593637334555e-04 -1.329448144678e-03 2.510419976850e-04
|
||||
3*0.0 -6.498662587407e-05 -1.337645063308e-05 -2.999562322100e-04 -6.957351269524e-05 8.153621397961e-05 7.558399611582e-04 -1.471406182452e-04 3*0.0 1.044680934353e-04 3.254665237793e-05 4.818827393299e-04 1.510091753269e-04 -1.612403497722e-04 -1.337844115827e-03 2.517637448571e-04
|
||||
3*0.0 -6.382302477748e-05 -1.355527644043e-05 -2.935733527844e-04 -6.998557720949e-05 8.281621924989e-05 7.616375851702e-04 -1.475757764455e-04 3*0.0 1.020013134733e-04 3.281306058126e-05 4.669737818536e-04 1.515982617491e-04 -1.630762468636e-04 -1.345997440235e-03 2.524490710385e-04
|
||||
3*0.0 -6.266555387945e-05 -1.372967415694e-05 -2.871907523999e-04 -7.038944083585e-05 8.407409798132e-05 7.673013239748e-04 -1.479939029692e-04 3*0.0 9.955535801771e-05 3.307076443826e-05 4.521933735055e-04 1.521582154431e-04 -1.648717277825e-04 -1.353909915128e-03 2.530983306426e-04
|
||||
3*0.0 -6.151290353308e-05 -1.390118107226e-05 -2.807964532237e-04 -7.078893751101e-05 8.530973416137e-05 7.728717327844e-04 -1.484065025342e-04 3*0.0 9.713036440760e-05 3.331987702014e-05 4.375432003718e-04 1.526894298731e-04 -1.666270987918e-04 -1.361583376030e-03 2.537118833007e-04
|
||||
3*0.0 -6.036682479208e-05 -1.406699650291e-05 -2.744115445656e-04 -7.115731016032e-05 8.652257906726e-05 7.782942858553e-04 -1.487853568628e-04 3*0.0 9.472646205826e-05 3.356051099721e-05 4.230248497380e-04 1.531922986166e-04 -1.683426692254e-04 -1.369019694888e-03 2.542900934962e-04
|
||||
3*0.0 -5.922546034083e-05 -1.422837630152e-05 -2.680337412772e-04 -7.151322625740e-05 8.771521663384e-05 7.835900330367e-04 -1.491520296923e-04 3*0.0 9.234377258293e-05 3.379277861793e-05 4.086398127404e-04 1.536672151871e-04 -1.700187513512e-04 -1.376220778249e-03 2.548333302120e-04
|
||||
3*0.0 -5.809163524567e-05 -1.438529468870e-05 -2.616573109610e-04 -7.186244093081e-05 8.888397163872e-05 7.887532452448e-04 -1.494959843881e-04 3*0.0 8.998240991493e-05 3.401679168844e-05 3.943894869642e-04 1.541145728639e-04 -1.716556602356e-04 -1.383188565483e-03 2.553419665894e-04
|
||||
3*0.0 -5.696386321255e-05 -1.453878071885e-05 -2.552983219086e-04 -7.218793515557e-05 9.003114766153e-05 7.937896118931e-04 -1.498207593515e-04 3*0.0 8.764248043074e-05 3.423266155285e-05 3.802751789891e-04 1.545347645273e-04 -1.732537136101e-04 -1.389925027052e-03 2.558163795993e-04
|
||||
3*0.0 -5.584185306146e-05 -1.468854477996e-05 -2.489362203526e-04 -7.252379772826e-05 9.115665893228e-05 7.987211640116e-04 -1.501426590450e-04 3*0.0 8.532408307351e-05 3.444049907398e-05 3.662981068828e-04 1.549281825015e-04 -1.748132317394e-04 -1.396432162828e-03 2.562569497250e-04
|
||||
3*0.0 -5.472729375380e-05 -1.483485830526e-05 -2.425864618344e-04 -7.283921585776e-05 9.225960249128e-05 8.035331623385e-04 -1.504387443657e-04 3*0.0 8.302730947713e-05 3.464041461479e-05 3.524594026432e-04 1.552952184021e-04 -1.763345372911e-04 -1.402712000447e-03 2.566640606551e-04
|
||||
3*0.0 -5.361831046807e-05 -1.497599723521e-05 -2.362618980961e-04 -7.313502814299e-05 9.334216262506e-05 8.082081155213e-04 -1.507178847058e-04 3*0.0 8.075224409066e-05 3.483251802037e-05 3.387601145915e-04 1.556362629911e-04 -1.778179552082e-04 -1.408766593716e-03 2.570380989888e-04
|
||||
3*0.0 -5.251608331271e-05 -1.511359240782e-05 -2.299512778254e-04 -7.341503428174e-05 9.440334413228e-05 8.127645520802e-04 -1.509741120673e-04 3*0.0 7.849896430301e-05 3.501691860049e-05 3.252012097145e-04 1.559517060365e-04 -1.792638125819e-04 -1.414598021058e-03 2.573794539503e-04
|
||||
3*0.0 -5.142080936116e-05 -1.524735601840e-05 -2.236571131991e-04 -7.368834448669e-05 9.544286130005e-05 8.171993791393e-04 -1.512182374109e-04 3*0.0 7.626754056783e-05 3.519372511273e-05 3.117835759595e-04 1.562419361781e-04 -1.806724385278e-04 -1.420208383995e-03 2.576885171144e-04
|
||||
3*0.0 -5.033255637845e-05 -1.537725368003e-05 -2.173885477993e-04 -7.395337051854e-05 9.646097154691e-05 8.215041976836e-04 -1.514437508802e-04 3*0.0 7.405803652846e-05 3.536304574618e-05 2.985080244803e-04 1.565073407985e-04 -1.820441640629e-04 -1.425599805681e-03 2.579656821418e-04
|
||||
3*0.0 -4.925112653741e-05 -1.550325719966e-05 -2.111419781516e-04 -7.420047119615e-05 9.745832151285e-05 8.256933498532e-04 -1.516542861397e-04 3*0.0 7.187050914286e-05 3.552498810575e-05 2.853752918374e-04 1.567483058999e-04 -1.833793219854e-04 -1.430774429469e-03 2.582113445235e-04
|
||||
3*0.0 -4.817705519745e-05 -1.562553332561e-05 -2.049203370736e-04 -7.444031085991e-05 9.843432337164e-05 8.297574475199e-04 -1.518451926572e-04 3*0.0 6.970500880849e-05 3.567965919691e-05 2.723860421507e-04 1.569652159859e-04 -1.846782467552e-04 -1.435734417517e-03 2.584259013354e-04
|
||||
3*0.0 -4.710964258238e-05 -1.574399114636e-05 -1.987282079155e-04 -7.466455516363e-05 9.938982734726e-05 8.337035072951e-04 -1.520246989324e-04 3*0.0 6.756157948699e-05 3.582716541109e-05 2.595408692074e-04 1.571584539475e-04 -1.859412743778e-04 -1.440481949432e-03 2.586097510016e-04
|
||||
3*0.0 -4.604982832179e-05 -1.585896747112e-05 -1.925607869405e-04 -7.487685264578e-05 1.003245443550e-04 8.375285519002e-04 -1.521825587669e-04 3*0.0 6.544025882864e-05 3.596761251158e-05 2.468402985253e-04 1.573284009557e-04 -1.871687422892e-04 -1.445019220959e-03 2.587632930665e-04
|
||||
3*0.0 -4.499735022649e-05 -1.597082769468e-05 -1.864203463471e-04 -7.508758867544e-05 1.012387970637e-04 8.412349311737e-04 -1.523266162188e-04 3*0.0 6.334107829642e-05 3.610110561993e-05 2.342847893709e-04 1.574754363569e-04 -1.883609892425e-04 -1.449348442700e-03 2.588869279755e-04
|
||||
3*0.0 -4.395258291597e-05 -1.607812662712e-05 -1.803235152417e-04 -7.527709235885e-05 1.021320586199e-04 8.448142997339e-04 -1.524530455724e-04 3*0.0 6.126406328980e-05 3.622774920293e-05 2.218747367361e-04 1.575999375748e-04 -1.895183551977e-04 -1.453471838865e-03 2.589810568644e-04
|
||||
3*0.0 -4.291519440572e-05 -1.618232287482e-05 -1.742521962798e-04 -7.545828120835e-05 1.030058569434e-04 8.482755901544e-04 -1.525594190941e-04 3*0.0 5.920923326799e-05 3.634764706002e-05 2.096104732706e-04 1.577022800150e-04 -1.906411812119e-04 -1.457391646074e-03 2.590460813562e-04
|
||||
3*0.0 -4.188447224956e-05 -1.628199393919e-05 -1.682254569523e-04 -7.561446585942e-05 1.038604551411e-04 8.516133386854e-04 -1.526478172433e-04 3*0.0 5.717660187268e-05 3.646090231133e-05 1.974922711736e-04 1.577828369758e-04 -1.917298093328e-04 -1.461110112173e-03 2.590824033667e-04
|
||||
3*0.0 -4.086211515659e-05 -1.637866048178e-05 -1.622295535502e-04 -7.576979882898e-05 1.046933676741e-04 8.548450603085e-04 -1.527273989730e-04 3*0.0 5.516617705018e-05 3.656761738608e-05 1.855203440437e-04 1.578419795611e-04 -1.927845824933e-04 -1.464629495105e-03 2.590904249166e-04
|
||||
3*0.0 -3.984747582046e-05 -1.647370714296e-05 -1.562644446367e-04 -7.591834172397e-05 1.055076673127e-04 8.579611015856e-04 -1.527826380601e-04 3*0.0 5.317796117301e-05 3.666789401158e-05 1.736948486887e-04 1.578800765998e-04 -1.938058444083e-04 -1.467952061798e-03 2.590705479520e-04
|
||||
3*0.0 -3.884091310156e-05 -1.656430743166e-05 -1.503348315100e-04 -7.606550139242e-05 1.063009879349e-04 8.609693702832e-04 -1.528351872865e-04 3*0.0 5.121195116069e-05 3.676183320266e-05 1.620158868959e-04 1.578974945670e-04 -1.947939394737e-04 -1.471080087090e-03 2.590231741715e-04
|
||||
3*0.0 -3.784240329181e-05 -1.665133454218e-05 -1.444568148988e-04 -7.619170977074e-05 1.070747253106e-04 8.638456629336e-04 -1.528653079802e-04 3*0.0 4.926813859981e-05 3.684953525157e-05 1.504835071628e-04 1.578945975105e-04 -1.957492126671e-04 -1.474015852694e-03 2.589487048605e-04
|
||||
3*0.0 -3.685092629985e-05 -1.673512643320e-05 -1.386177112937e-04 -7.630227250787e-05 1.078302076390e-04 8.666081436668e-04 -1.528761027899e-04 3*0.0 4.734650986338e-05 3.693109971839e-05 1.390977063898e-04 1.578717469806e-04 -1.966720094502e-04 -1.476761646181e-03 2.588475407321e-04
|
||||
3*0.0 -3.586807980301e-05 -1.681419510658e-05 -1.328308295579e-04 -7.639529211948e-05 1.085661998781e-04 8.692481783346e-04 -1.528697055838e-04 3*0.0 4.544704622926e-05 3.700662542185e-05 1.278584315353e-04 1.578293019632e-04 -1.975626756740e-04 -1.479319760005e-03 2.587200817747e-04
|
||||
3*0.0 -3.489285518345e-05 -1.689151819433e-05 -1.270769502730e-04 -7.648694877936e-05 1.092830523087e-04 8.717874075885e-04 -1.528519067965e-04 3*0.0 4.356972399770e-05 3.707621043062e-05 1.167655812335e-04 1.577676188171e-04 -1.984215574851e-04 -1.481692490548e-03 2.585667271059e-04
|
||||
3*0.0 -3.392623860060e-05 -1.696576181410e-05 -1.213696849079e-04 -7.657588576300e-05 1.099810092904e-04 8.742123635851e-04 -1.528206343455e-04 3*0.0 4.171451460806e-05 3.713995205508e-05 1.058190073761e-04 1.576870512142e-04 -1.992490012342e-04 -1.483882137204e-03 2.583878748323e-04
|
||||
3*0.0 -3.296784472042e-05 -1.703679934200e-05 -1.157060022396e-04 -7.665109454738e-05 1.106598930970e-04 8.765287318981e-04 -1.527733724466e-04 3*0.0 3.988138475443e-05 3.719794683942e-05 9.501851665787e-05 1.575879500835e-04 -2.000453533867e-04 -1.485891001482e-03 2.581839219160e-04
|
||||
3*0.0 -3.201726651470e-05 -1.710455795335e-05 -1.100933710626e-04 -7.671026573558e-05 1.113204119559e-04 8.787342078580e-04 -1.527132935095e-04 3*0.0 3.807029650037e-05 3.725029055429e-05 8.436387208780e-05 1.574706635575e-04 -2.008109604348e-04 -1.487721386145e-03 2.579552640458e-04
|
||||
3*0.0 -3.107491508273e-05 -1.716912549792e-05 -1.045242750865e-04 -7.676204526776e-05 1.119624404870e-04 8.808236235468e-04 -1.526285914981e-04 3*0.0 3.628120739254e-05 3.729707818979e-05 7.385479446501e-05 1.573355369228e-04 -2.015461688122e-04 -1.489375594371e-03 2.577022955152e-04
|
||||
3*0.0 -3.014139563750e-05 -1.723069887892e-05 -9.900428939864e-05 -7.680346298959e-05 1.125858074459e-04 8.828115541857e-04 -1.525395527923e-04 3*0.0 3.451407057328e-05 3.733840394888e-05 6.349096382143e-05 1.571829125728e-04 -2.022513248101e-04 -1.490855928942e-03 2.574254091048e-04
|
||||
3*0.0 -2.921581112903e-05 -1.728891373863e-05 -9.353938797231e-05 -7.682841506095e-05 1.131910013920e-04 8.846821349513e-04 -1.524262618808e-04 3*0.0 3.276883489215e-05 3.737436124124e-05 5.327202083095e-05 1.570131299642e-04 -2.029267744950e-04 -1.492164691461e-03 2.571249959706e-04
|
||||
3*0.0 -2.829891330203e-05 -1.734446728564e-05 -8.812027716445e-05 -7.685604690473e-05 1.137780392918e-04 8.864525015147e-04 -1.523149836281e-04 3*0.0 3.104544501627e-05 3.740504267742e-05 4.319756818603e-05 1.568265255752e-04 -2.035728636289e-04 -1.493304181592e-03 2.568014455373e-04
|
||||
3*0.0 -2.739031543534e-05 -1.739873737285e-05 -8.274246903366e-05 -7.688194763641e-05 1.143481643261e-04 8.881316516399e-04 -1.521820900741e-04 3*0.0 2.934384153957e-05 3.743054006350e-05 3.326717194228e-05 1.566234328677e-04 -2.041899375914e-04 -1.494276696327e-03 2.564551453960e-04
|
||||
3*0.0 -2.648977459088e-05 -1.744888401798e-05 -7.742482273053e-05 -7.688889238045e-05 1.149006885011e-04 8.896877435388e-04 -1.520366418419e-04 3*0.0 2.766396109085e-05 3.745094439603e-05 2.348036283160e-05 1.564041822512e-04 -2.047783413024e-04 -1.495084529275e-03 2.560864812079e-04
|
||||
3*0.0 -2.559825480495e-05 -1.749595288605e-05 -7.216284653655e-05 -7.688569088107e-05 1.154349425588e-04 8.911463969895e-04 -1.518749368540e-04 3*0.0 2.600573644060e-05 3.746634585740e-05 1.383663754449e-05 1.561691010501e-04 -2.053384191487e-04 -1.495729969978e-03 2.556958366111e-04
|
||||
3*0.0 -2.471525632957e-05 -1.753991040569e-05 -6.695190787732e-05 -7.686850468886e-05 1.159520961906e-04 8.924878962037e-04 -1.516951294204e-04 3*0.0 2.436909660671e-05 3.747683381151e-05 4.335459981970e-06 1.559185134724e-04 -2.058705149102e-04 -1.496215303248e-03 2.552835931332e-04
|
||||
3*0.0 -2.384099314815e-05 -1.758038835402e-05 -6.180227177125e-05 -7.683980816714e-05 1.164509448275e-04 8.937344124236e-04 -1.515080406734e-04 3*0.0 2.275396695886e-05 3.748249679988e-05 -5.023737522065e-06 1.556527405822e-04 -2.063749716898e-04 -1.496542808525e-03 2.548501301075e-04
|
||||
3*0.0 -2.297530904844e-05 -1.761967161067e-05 -5.669183563273e-05 -7.681179461920e-05 1.169334739083e-04 8.948951320942e-04 -1.513078407521e-04 3*0.0 2.116026932167e-05 3.748342253802e-05 -1.424155300779e-05 1.553721002732e-04 -2.068521318439e-04 -1.496714759264e-03 2.543958245933e-04
|
||||
3*0.0 -2.211754600433e-05 -1.765622207467e-05 -5.164046151775e-05 -7.677185287433e-05 1.174005257184e-04 8.959433754407e-04 -1.510919633041e-04 3*0.0 1.958792207662e-05 3.747969791217e-05 -2.331861372493e-05 1.550769072456e-04 -2.073023369150e-04 -1.496733422335e-03 2.539210513014e-04
|
||||
3*0.0 -2.126904891499e-05 -1.769041191168e-05 -4.664044945069e-05 -7.673187950117e-05 1.178496314145e-04 8.968974473128e-04 -1.508673862403e-04 3*0.0 1.803684026267e-05 3.747140897641e-05 -3.225557499638e-05 1.547674729841e-04 -2.077259275660e-04 -1.496601057450e-03 2.534261825216e-04
|
||||
3*0.0 -2.042866170825e-05 -1.772121225192e-05 -4.170528804427e-05 -7.667297125404e-05 1.182824329691e-04 8.977458211647e-04 -1.506297502981e-04 3*0.0 1.650693567559e-05 3.745864095001e-05 -4.105311910930e-05 1.544441057391e-04 -2.081232435164e-04 -1.496319916610e-03 2.529115880562e-04
|
||||
3*0.0 -1.959752746840e-05 -1.775009507631e-05 -3.682154968481e-05 -7.660842591506e-05 1.186988016838e-04 8.985047361692e-04 -1.503781773881e-04 3*0.0 1.499811696596e-05 3.744147821516e-05 -4.971195423331e-05 1.541071105093e-04 -2.084946234803e-04 -1.495892243571e-03 2.523776351551e-04
|
||||
3*0.0 -1.877511739819e-05 -1.777604539350e-05 -3.198839154039e-05 -7.654341944455e-05 1.190982152171e-04 8.991681506988e-04 -1.501172575823e-04 3*0.0 1.351028973591e-05 3.742000431499e-05 -5.823281336510e-05 1.537567890259e-04 -2.088404051054e-04 -1.495320273329e-03 2.518246884562e-04
|
||||
3*0.0 -1.796093767082e-05 -1.779940539427e-05 -2.721542228301e-05 -7.645963380664e-05 1.194825414688e-04 8.997398623425e-04 -1.498422914036e-04 3*0.0 1.204335663447e-05 3.739430195188e-05 -6.661645329910e-05 1.533934397399e-04 -2.091609249146e-04 -1.494606231628e-03 2.512531099283e-04
|
||||
3*0.0 -1.715606104162e-05 -1.782060728438e-05 -2.249766356041e-05 -7.637462035573e-05 1.198509334169e-04 9.002152119662e-04 -1.495537294987e-04 3*0.0 1.059721745168e-05 3.736445298608e-05 -7.486365362362e-05 1.530173578102e-04 -2.094565182484e-04 -1.493752334480e-03 2.506632588172e-04
|
||||
3*0.0 -1.635921694201e-05 -1.783933340678e-05 -1.783902198753e-05 -7.627818068806e-05 1.202036691992e-04 9.005962314565e-04 -1.492553238464e-04 3*0.0 9.171769211261e-06 3.733053843456e-05 -8.297521574198e-05 1.526288350937e-04 -2.097275192100e-04 -1.492760787712e-03 2.500554915956e-04
|
||||
3*0.0 -1.557187315608e-05 -1.785574064525e-05 -1.323800463631e-05 -7.617924660843e-05 1.205402369345e-04 9.008845079186e-04 -1.489473911385e-04 3*0.0 7.766906262002e-06 3.729263847026e-05 -9.095196191815e-05 1.522281601376e-04 -2.099742606104e-04 -1.491633786525e-03 2.494301619159e-04
|
||||
3*0.0 -1.479277984642e-05 -1.786973807659e-05 -8.694545718163e-06 -7.607204177250e-05 1.208618962942e-04 9.010839836993e-04 -1.486293668007e-04 3*0.0 6.382520367807e-06 3.725083242144e-05 -9.879473434642e-05 1.518156181724e-04 -2.101970739170e-04 -1.490373515070e-03 2.487876205658e-04
|
||||
3*0.0 -1.402247891717e-05 -1.788154041844e-05 -4.204633102275e-06 -7.595248761273e-05 1.211682548137e-04 9.012006918488e-04 -1.482947491142e-04 3*0.0 5.018500796363e-06 3.720519877146e-05 -1.065043942446e-04 1.513914911077e-04 -2.103962892023e-04 -1.488982146046e-03 2.481282154270e-04
|
||||
3*0.0 -1.326091044102e-05 -1.789089498633e-05 2.225385349337e-07 -7.582873487360e-05 1.214595612115e-04 9.012237701277e-04 -1.479549260117e-04 3*0.0 3.674734406473e-06 3.715581515870e-05 -1.140818209705e-04 1.509560575286e-04 -2.105722350947e-04 -1.487461840312e-03 2.474522914366e-04
|
||||
3*0.0 -1.250803933159e-05 -1.789815620461e-05 4.594065039967e-06 -7.569767031747e-05 1.217358304968e-04 9.011606877731e-04 -1.476047895974e-04 3*0.0 2.351105734033e-06 3.710275837679e-05 -1.215279111605e-04 1.505095926939e-04 -2.107252387308e-04 -1.485814746511e-03 2.467601905511e-04
|
||||
3*0.0 -1.176427789314e-05 -1.790371893465e-05 8.912274991646e-06 -7.556172793366e-05 1.219972806802e-04 9.010109586954e-04 -1.472360298307e-04 3*0.0 1.047497076652e-06 3.704610437505e-05 -1.288435778912e-04 1.500523685357e-04 -2.108556257095e-04 -1.484043000719e-03 2.460522517135e-04
|
||||
3*0.0 -1.102879945036e-05 -1.790655382804e-05 1.316568159329e-05 -7.542273343686e-05 1.222446076603e-04 9.007785878330e-04 -1.468704867077e-04 3*0.0 -2.362114230735e-07 3.698592825918e-05 -1.360297498618e-04 1.495846536606e-04 -2.109637200469e-04 -1.482148726100e-03 2.453288108224e-04
|
||||
3*0.0 -1.030243373622e-05 -1.790697553892e-05 1.735950642352e-05 -7.526559450881e-05 1.224768954804e-04 9.004592492430e-04 -1.464815581395e-04 3*0.0 -1.500141695643e-06 3.692230429221e-05 -1.430873705987e-04 1.491067133518e-04 -2.110498441334e-04 -1.480134032584e-03 2.445902007034e-04
|
||||
3*0.0 -9.584795291231e-06 -1.790659502868e-05 2.150825352393e-05 -7.511612755738e-05 1.226954010512e-04 9.000724451297e-04 -1.460948494654e-04 3*0.0 -2.744417664083e-06 3.685530589559e-05 -1.500173976802e-04 1.486188095729e-04 -2.111143186917e-04 -1.478001016553e-03 2.438367510837e-04
|
||||
3*0.0 -8.875425914017e-06 -1.790399990875e-05 2.559901234407e-05 -7.496335975010e-05 1.228999939764e-04 8.996102575984e-04 -1.457003109509e-04 3*0.0 -3.969165164722e-06 3.678500565062e-05 -1.568208019823e-04 1.481212009724e-04 -2.111574627365e-04 -1.475751760544e-03 2.430687885677e-04
|
||||
3*0.0 -8.174711175983e-06 -1.789774411065e-05 2.960736957144e-05 -7.477839333008e-05 1.230913229074e-04 8.990307422961e-04 -1.452791537869e-04 3*0.0 -5.174511869315e-06 3.671147529993e-05 -1.634985669438e-04 1.476141428900e-04 -2.111795935355e-04 -1.473388332972e-03 2.422866366161e-04
|
||||
3*0.0 -7.482951080439e-06 -1.789131939292e-05 3.358638169515e-05 -7.461351640541e-05 1.232680434527e-04 8.984076533779e-04 -1.448645851380e-04 3*0.0 -6.360587208495e-06 3.663478574936e-05 -1.700516878519e-04 1.470978873637e-04 -2.111810265720e-04 -1.470912787853e-03 2.414906155262e-04
|
||||
3*0.0 -6.799867392848e-06 -1.788182174895e-05 3.748546421240e-05 -7.442519070208e-05 1.234313353149e-04 8.976830270469e-04 -1.444306171954e-04 3*0.0 -7.527522296575e-06 3.655500706983e-05 -1.764811711463e-04 1.465726831378e-04 -2.111620755084e-04 -1.468327164553e-03 2.406810424144e-04
|
||||
3*0.0 -6.124854172262e-06 -1.786986967265e-05 4.132787185820e-05 -7.423046921590e-05 1.235816315725e-04 8.968849870530e-04 -1.439923518502e-04 3*0.0 -8.675449857659e-06 3.647220849958e-05 -1.827880337427e-04 1.460387756725e-04 -2.111230521516e-04 -1.465633487544e-03 2.398582312008e-04
|
||||
3*0.0 -5.459932742405e-06 -1.785780075460e-05 4.512432859476e-05 -7.404766094531e-05 1.237171476834e-04 8.960276112380e-04 -1.435499514237e-04 3*0.0 -9.804504153096e-06 3.638645844648e-05 -1.889733023737e-04 1.454964071536e-04 -2.110642664192e-04 -1.462833766172e-03 2.390224925957e-04
|
||||
3*0.0 -4.802585671760e-06 -1.784359365452e-05 4.886526410975e-05 -7.385262196695e-05 1.238403905423e-04 8.950940253305e-04 -1.430969054605e-04 3*0.0 -1.091482091023e-05 3.629782449058e-05 -1.950380129495e-04 1.449458165045e-04 -2.109860263073e-04 -1.459929994443e-03 2.381741340878e-04
|
||||
3*0.0 -4.153893559952e-06 -1.782700894193e-05 5.253810600757e-05 -7.365042983694e-05 1.239516291639e-04 8.940751008436e-04 -1.426335861107e-04 3*0.0 -1.200653725246e-05 3.620637338678e-05 -2.009832099344e-04 1.443872393975e-04 -2.108886378598e-04 -1.456924150810e-03 2.373134599341e-04
|
||||
3*0.0 -3.513984255432e-06 -1.780863448707e-05 5.615733959890e-05 -7.344100510006e-05 1.240495431415e-04 8.929879723065e-04 -1.421607440712e-04 3*0.0 -1.307979163065e-05 3.611217106777e-05 -2.068099457417e-04 1.438209082675e-04 -2.107724051381e-04 -1.453818197984e-03 2.364407711513e-04
|
||||
3*0.0 -2.882525565640e-06 -1.778850707969e-05 5.971961219819e-05 -7.322397785074e-05 1.241346627133e-04 8.918300449955e-04 -1.416798032659e-04 3*0.0 -1.413472375571e-05 3.601528264700e-05 -2.125192801456e-04 1.432470523254e-04 -2.106376301930e-04 -1.450614082748e-03 2.355563655095e-04
|
||||
3*0.0 -2.259266938172e-06 -1.776688651358e-05 6.322268423960e-05 -7.300569981365e-05 1.242081870318e-04 8.906053861310e-04 -1.411932718924e-04 3*0.0 -1.517147453263e-05 3.591577242190e-05 -2.181122797088e-04 1.426658975731e-04 -2.104846130374e-04 -1.447313735785e-03 2.346605375267e-04
|
||||
3*0.0 -1.644472818482e-06 -1.774428053417e-05 6.667579442597e-05 -7.278741591029e-05 1.242694573895e-04 8.893258177330e-04 -1.407037666699e-04 3*0.0 -1.619018599564e-05 3.581370387725e-05 -2.235900172274e-04 1.420776668184e-04 -2.103136516199e-04 -1.443919071515e-03 2.337535784650e-04
|
||||
3*0.0 -1.038541068666e-06 -1.771944924028e-05 7.007104675252e-05 -7.256133936221e-05 1.243179441658e-04 8.879673410319e-04 -1.402009313156e-04 3*0.0 -1.719100124470e-05 3.570913968863e-05 -2.289535711909e-04 1.414825796920e-04 -2.101250418001e-04 -1.440431987947e-03 2.328357763286e-04
|
||||
Spline
|
||||
77 4.52
|
||||
1.567422531740422 3.963294848844764 -1.431769908742515
|
||||
1.2 1.24 6.591835 -12.57637911974606 9.856249999999875 1.205699841301136
|
||||
1.24 1.28 6.104627 -11.78209176050783 10.00093398095601 -6.028499206505991
|
||||
1.28 1.32 5.648959 -11.01095383822257 9.277514076175292 -3.841703015268083
|
||||
1.32 1.36 5.223119 -10.28719288660184 8.816509714343121 -4.198438732419677
|
||||
1.36 1.4 4.825469 -9.60202461537 8.31269706645276 -3.880167055095399
|
||||
1.4 1.44 4.45444 -8.955633651918241 7.847077019841314 -3.73401804712474
|
||||
1.44 1.48 4.108531 -8.345790776957134 7.398994854186345 -3.574385756446127
|
||||
1.48 1.52 3.786309 -7.771028240253167 6.970068563412809 -3.390313927087385
|
||||
1.52 1.56 3.486403 -7.229696262030161 6.563230892162323 -3.254983535208985
|
||||
1.56 1.6 3.207508 -6.720261711626178 6.172632867937244 -3.08975193206171
|
||||
1.6 1.64 2.948376 -6.241281891465094 5.801862636089838 -2.948508736577829
|
||||
1.64 1.68 2.707819 -5.791285722513483 5.448041587700501 -2.803713121586905
|
||||
1.68 1.72 2.484705 -5.368900218481059 5.111596013110072 -2.664763777089416
|
||||
1.72 1.76 2.277957 -4.972763403562283 4.791824359859342 -2.537231770050302
|
||||
1.76 1.8 2.086551 -4.601596167269776 4.487356547453305 -2.405059142720502
|
||||
1.8 1.84 1.909513 -4.25415192735857 4.198749450326845 -2.28003165906287
|
||||
1.84 1.88 1.745919 -3.929196123295924 3.9251456512393 -2.1623142210422
|
||||
1.88 1.92 1.594893 -3.625563579457784 3.665667944714237 -2.055086456739206
|
||||
1.92 1.96 1.455604 -3.342174558872993 3.419057569905532 -1.929839952014443
|
||||
1.96 2 1.327264 -3.077913185050219 3.187476775663799 -1.834928735205649
|
||||
2 2.04 1.20913 -2.831722700926103 2.967285327439121 -1.730445107163661
|
||||
2.04 2.08 1.100498 -2.602646011245358 2.759631914579481 -1.633915836138225
|
||||
2.08 2.12 1.000703 -2.389718254092463 2.563562014242894 -1.530766548280588
|
||||
2.12 2.16 0.909118 -2.191980972384778 2.379870028449223 -1.44614297074211
|
||||
2.16 2.2 0.8251540000000001 -2.008532856368402 2.20633287196017 -1.372161568752627
|
||||
2.2 2.24 0.748255 -1.838612602141601 2.041673483709855 -1.268335754243948
|
||||
2.24 2.28 0.6778960000000001 -1.681366735065184 1.889473193200581 -1.19512041428517
|
||||
2.28 2.32 0.613588 -1.535945457597707 1.746058743486362 -1.138682588591599
|
||||
2.32 2.36 0.554871 -1.401726434544038 1.60941683285537 -1.031399231360757
|
||||
2.36 2.4 0.501311 -1.27792380422614 1.485648925092079 -1.001345485963381
|
||||
2.4 2.44 0.452507 -1.163878348551397 1.365487466776473 -0.9007188247872751
|
||||
2.44 2.48 0.408079 -1.058962801568259 1.257401207802 -0.8645292148886403
|
||||
2.48 2.52 0.367677 -0.962520445175564 1.153657702015363 -0.7974143156554993
|
||||
2.52 2.56 0.330971 -0.8740554177294813 1.057967984136703 -0.7270635224915365
|
||||
2.56 2.6 0.297655 -0.7929078839065042 0.9707203614377187 -0.7005815943775818
|
||||
2.6 2.64 0.267447 -0.7186130466444991 0.8866505701124088 -0.6268600999979496
|
||||
2.64 2.68 0.240081 -0.6506899295154965 0.8114273581126548 -0.5888530056304394
|
||||
2.68 2.72 0.215314 -0.5886022352935102 0.740764997437002 -0.548977877480801
|
||||
2.72 2.76 0.19292 -0.5319761293104579 0.6748876521393058 -0.4964854844495598
|
||||
2.76 2.8 0.172689 -0.4803682474646718 0.6153093940053592 -0.4650801847138522
|
||||
2.8 2.84 0.154429 -0.4333758808308695 0.5594997718396969 -0.424443776698894
|
||||
2.84 2.88 0.137962 -0.3906532292118484 0.5085665186358296 -0.3840197084903196
|
||||
2.88 2.92 0.123125 -0.3518112023217356 0.4624841536169912 -0.3676023893397765
|
||||
2.92 2.96 0.109769 -0.3165769615012072 0.418371866896218 -0.3174457341509888
|
||||
2.96 3 0.09775499999999999 -0.2846309516734344 0.3802783787980993 -0.300114674055809
|
||||
3 3.04 0.08695899999999999 -0.2556492318050543 0.3442646179114022 -0.2789705696258533
|
||||
3.04 3.08 0.077266 -0.2294471211063463 0.3107881495562997 -0.2402530474409038
|
||||
3.08 3.12 0.06857000000000001 -0.2057372837695586 0.2819577838633913 -0.2287672406106785
|
||||
3.12 3.16 0.060777 -0.1842787438154185 0.2545057149901098 -0.2040529901160222
|
||||
3.16 3.2 0.0538 -0.1648977409687666 0.2300193561761871 -0.1893957989254773
|
||||
3.2 3.24 0.04756 -0.147405292309514 0.2072918603051298 -0.1633638141819076
|
||||
3.24 3.28 0.041985 -0.1316060897931767 0.1876882026033009 -0.1571489443478166
|
||||
3.28 3.32 0.037011 -0.1173453485177823 0.1688303292815631 -0.129915408425171
|
||||
3.32 3.36 0.032579 -0.1044625161356981 0.1532404802705426 -0.1356894219521878
|
||||
3.36 3.4 0.028637 -0.09285458693942514 0.13695774963628 -0.1085769037662151
|
||||
3.4 3.44 0.025135 -0.08241913610660057 0.1239285211843342 -0.1018779629829629
|
||||
3.44 3.48 0.02203 -0.07299386863417204 0.1117031656263786 -0.0932862443019
|
||||
3.48 3.52 0.019283 -0.06450538935671087 0.1005088163101506 -0.08747705980944741
|
||||
3.52 3.56 0.016858 -0.05688457393898416 0.09001156913301693 -0.07243051646030889
|
||||
3.56 3.6 0.014722 -0.05003131488735228 0.08131990715777986 -0.0759258743493146
|
||||
3.6 3.64 0.012846 -0.04389016651160659 0.0722088022358621 -0.06136598614240544
|
||||
3.64 3.68 0.011202 -0.03840801906622117 0.06484488389877344 -0.05361018108108272
|
||||
3.68 3.72 0.009766 -0.03347775722350849 0.0584116621690435 -0.0679432895332856
|
||||
3.72 3.76 0.008515999999999999 -0.02913095203974477 0.05025846742504923 -0.03399166078590157
|
||||
3.76 3.8 0.007429 -0.0252734346175132 0.04617946813074108 -0.06171506732276597
|
||||
3.8 3.84 0.006488 -0.02187530949020319 0.03877366005200916 -0.03164806992322324
|
||||
3.84 3.88 0.005673 -0.01892532742167392 0.03497589166122236 -0.0460676529843431
|
||||
3.88 3.92 0.004969 -0.01634838082310098 0.02944777330310119 -0.0340813181394122
|
||||
3.92 3.96 0.00436 -0.01415614928592206 0.02535801512637172 -0.03635707445800197
|
||||
3.96 4 0.003832 -0.01230202203321073 0.02099516619141148 -0.02361538402857235
|
||||
4 4.04 0.003372 -0.01073576258123496 0.01816132010798279 -0.04105638942771769
|
||||
4.04 4.08 0.002969 -0.00947992764184938 0.01323455337665667 -0.0152840582605482
|
||||
4.08 4.12 0.00261 -0.008494526851367477 0.01140046638539088 -0.02280737753009402
|
||||
4.12 4.16 0.002287 -0.007691964952680657 0.008663581081779597 -0.03411143161907246
|
||||
4.16 4.2 0.001991 -0.007162613337909837 0.004570209287490898 0.06550310400637807
|
||||
4.2 4.24 0.001716 -0.00648258169567995 0.01243058176825627 -0.3216509844064353
|
||||
4.24 4.52 0.001456 -0.007032059879370339 -0.02616753636051599 0.1552690027940733 -0.01080582989230649 -0.4517828152567633
|
||||
558
tests/DFTB/scc/hc.spl
Normal file
558
tests/DFTB/scc/hc.spl
Normal file
|
|
@ -0,0 +1,558 @@
|
|||
0.02, 500,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
8*0.0 3.274705831812e-01 -5.226513952750e-01 8*0.0 -2.661783622497e-01 8.711877894968e-01
|
||||
8*0.0 3.375070999674e-01 -5.302770144130e-01 8*0.0 -2.778100907900e-01 8.695981519351e-01
|
||||
8*0.0 3.469448880088e-01 -5.374827299109e-01 8*0.0 -2.892200930583e-01 8.678916540437e-01
|
||||
8*0.0 3.557947894418e-01 -5.442609102614e-01 8*0.0 -3.004024375037e-01 8.660659445742e-01
|
||||
8*0.0 3.640837995286e-01 -5.505986655796e-01 8*0.0 -3.113516139947e-01 8.641189287908e-01
|
||||
8*0.0 3.718333917768e-01 -5.564874307072e-01 8*0.0 -3.220625261410e-01 8.620487680407e-01
|
||||
8*0.0 3.790481563086e-01 -5.619298057507e-01 8*0.0 -3.325304831435e-01 8.598538779213e-01
|
||||
8*0.0 3.857298655632e-01 -5.669334757117e-01 8*0.0 -3.427511912502e-01 8.575329252464e-01
|
||||
8*0.0 3.918943001987e-01 -5.715019987419e-01 8*0.0 -3.527207448844e-01 8.550848239933e-01
|
||||
8*0.0 3.975705864873e-01 -5.756336273264e-01 8*0.0 -3.624356175027e-01 8.525087303880e-01
|
||||
8*0.0 4.027872157315e-01 -5.793275364170e-01 8*0.0 -3.718926522345e-01 8.498040372661e-01
|
||||
8*0.0 4.075607666228e-01 -5.825897946464e-01 8*0.0 -3.810890523455e-01 8.469703678328e-01
|
||||
8*0.0 4.118965084982e-01 -5.854337350768e-01 8*0.0 -3.900223715655e-01 8.440075689278e-01
|
||||
8*0.0 4.157978301594e-01 -5.878755242359e-01 8*0.0 -3.986905043117e-01 8.409157038884e-01
|
||||
8*0.0 4.192755386963e-01 -5.899291277667e-01 8*0.0 -4.070916758405e-01 8.376950450945e-01
|
||||
8*0.0 4.223507805664e-01 -5.916041002418e-01 8*0.0 -4.152244323514e-01 8.343460662656e-01
|
||||
8*0.0 4.250512545857e-01 -5.929067874295e-01 8*0.0 -4.230876310688e-01 8.308694345749e-01
|
||||
8*0.0 4.274043191660e-01 -5.938433804230e-01 8*0.0 -4.306804303214e-01 8.272660026331e-01
|
||||
8*0.0 4.294312404114e-01 -5.944226859912e-01 8*0.0 -4.380022796393e-01 8.235368003931e-01
|
||||
8*0.0 4.311452545952e-01 -5.946573415169e-01 8*0.0 -4.450529098840e-01 8.196830270146e-01
|
||||
8*0.0 4.325534335495e-01 -5.945632363827e-01 8*0.0 -4.518323234297e-01 8.157060427275e-01
|
||||
8*0.0 4.336182550036e-01 -5.941747952826e-01 8*0.0 -4.583407844066e-01 8.116073607246e-01
|
||||
8*0.0 4.344116986274e-01 -5.934850799367e-01 8*0.0 -4.645788090215e-01 8.073886391114e-01
|
||||
8*0.0 4.349406539829e-01 -5.925060085709e-01 8*0.0 -4.705471559654e-01 8.030516729372e-01
|
||||
8*0.0 4.352200313603e-01 -5.912488144522e-01 8*0.0 -4.762468169202e-01 7.985983863272e-01
|
||||
8*0.0 4.352616427376e-01 -5.897259002167e-01 8*0.0 -4.816790071727e-01 7.940308247343e-01
|
||||
8*0.0 4.350749558042e-01 -5.879506164850e-01 8*0.0 -4.868451563451e-01 7.893511473242e-01
|
||||
8*0.0 4.346684075515e-01 -5.859366002775e-01 8*0.0 -4.917468992498e-01 7.845616195075e-01
|
||||
8*0.0 4.340507053926e-01 -5.836969992720e-01 8*0.0 -4.963860668762e-01 7.796646056298e-01
|
||||
8*0.0 4.332318280291e-01 -5.812439911766e-01 8*0.0 -5.007646775146e-01 7.746625618265e-01
|
||||
8*0.0 4.322231775467e-01 -5.785884810671e-01 8*0.0 -5.048849280243e-01 7.695580290527e-01
|
||||
8*0.0 4.310374117896e-01 -5.757403566078e-01 8*0.0 -5.087491852503e-01 7.643536262919e-01
|
||||
8*0.0 4.296875907119e-01 -5.727087336936e-01 8*0.0 -5.123599775930e-01 7.590520439489e-01
|
||||
8*0.0 4.281862906013e-01 -5.695023470274e-01 8*0.0 -5.157199867359e-01 7.536560374303e-01
|
||||
8*0.0 4.265448721682e-01 -5.661299066741e-01 8*0.0 -5.188320395339e-01 7.481684209156e-01
|
||||
8*0.0 4.247730727820e-01 -5.626003416555e-01 8*0.0 -5.216991000655e-01 7.425920613203e-01
|
||||
8*0.0 4.228790090845e-01 -5.589229157783e-01 8*0.0 -5.243242618513e-01 7.369298724526e-01
|
||||
8*0.0 4.208693064734e-01 -5.551070812964e-01 8*0.0 -5.267107402422e-01 7.311848093625e-01
|
||||
8*0.0 4.187496160353e-01 -5.511623553540e-01 8*0.0 -5.288618649768e-01 7.253598628861e-01
|
||||
8*0.0 4.165250440133e-01 -5.470980643170e-01 8*0.0 -5.307810729115e-01 7.194580543806e-01
|
||||
8*0.0 4.142006156112e-01 -5.429231539088e-01 8*0.0 -5.324719009235e-01 7.134824306519e-01
|
||||
8*0.0 4.117816138332e-01 -5.386460410353e-01 8*0.0 -5.339379789874e-01 7.074360590723e-01
|
||||
8*0.0 4.092737569857e-01 -5.342745180699e-01 8*0.0 -5.351830234256e-01 7.013220228852e-01
|
||||
8*0.0 4.066832083977e-01 -5.298157121398e-01 8*0.0 -5.362108303334e-01 6.951434166967e-01
|
||||
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|
||||
8*0.0 2.897630393749e-05 1.171797483344e-05 8*0.0 -2.735956549910e-05 -6.339964550874e-05
|
||||
8*0.0 2.795051460443e-05 1.234680566416e-05 8*0.0 -2.516262522388e-05 -6.413700980567e-05
|
||||
8*0.0 2.694902087323e-05 1.295422548315e-05 8*0.0 -2.299191860326e-05 -6.483737263319e-05
|
||||
8*0.0 2.596774486611e-05 1.353984366172e-05 8*0.0 -2.084764834056e-05 -6.550109624160e-05
|
||||
8*0.0 2.500631028742e-05 1.410519811927e-05 8*0.0 -1.873001626607e-05 -6.612854586246e-05
|
||||
8*0.0 2.406329002955e-05 1.465101824233e-05 8*0.0 -1.663922256552e-05 -6.672008981948e-05
|
||||
8*0.0 2.313535011855e-05 1.517967638597e-05 8*0.0 -1.457546505433e-05 -6.727609962093e-05
|
||||
8*0.0 2.223051192792e-05 1.568526474823e-05 8*0.0 -1.253893849615e-05 -6.779695003419e-05
|
||||
8*0.0 2.133912559124e-05 1.617472308785e-05 8*0.0 -1.052983396388e-05 -6.828301914364e-05
|
||||
8*0.0 2.046409288412e-05 1.664589181831e-05 8*0.0 -8.548338241792e-06 -6.873468839252e-05
|
||||
8*0.0 1.960465534001e-05 1.709927429908e-05 8*0.0 -6.594633267116e-06 -6.915234260981e-05
|
||||
8*0.0 1.876072968294e-05 1.753248149699e-05 8*0.0 -4.668895609772e-06 -6.953637002277e-05
|
||||
8*0.0 1.792850566579e-05 1.795482004231e-05 8*0.0 -2.771295988640e-06 -6.988716225601e-05
|
||||
8*0.0 1.711486887701e-05 1.835594900476e-05 8*0.0 -9.019988231208e-07 -7.020511431790e-05
|
||||
8*0.0 1.631322029979e-05 1.874127464016e-05 8*0.0 9.388381814396e-07 -7.049062457489e-05
|
||||
8*0.0 1.552472401159e-05 1.911046625227e-05 8*0.0 2.751064415763e-06 -7.074409471466e-05
|
||||
8*0.0 1.474919116390e-05 1.946366822472e-05 8*0.0 4.534536717375e-06 -7.096592969863e-05
|
||||
8*0.0 1.398619464651e-05 1.980118643198e-05 8*0.0 6.289119691279e-06 -7.115653770450e-05
|
||||
8*0.0 1.323447829207e-05 2.012349788189e-05 8*0.0 8.014686001845e-06 -7.131633005955e-05
|
||||
8*0.0 1.249675808683e-05 2.043043734661e-05 8*0.0 9.711116637012e-06 -7.144572116522e-05
|
||||
8*0.0 1.176993433938e-05 2.072210657137e-05 8*0.0 1.137830114601e-05 -7.154512841359e-05
|
||||
8*0.0 1.105404190687e-05 2.099948577302e-05 8*0.0 1.301613785167e-05 -7.161497209632e-05
|
||||
8*0.0 1.036248760548e-05 2.124896569327e-05 8*0.0 1.462453403845e-05 -7.165567530663e-05
|
||||
8*0.0 9.656177748064e-06 2.151115466821e-05 8*0.0 1.620340611712e-05 -7.166766383478e-05
|
||||
8*0.0 8.973796605398e-06 2.174478448228e-05 8*0.0 1.775267976730e-05 -7.165136605764e-05
|
||||
8*0.0 8.302178352260e-06 2.196032996830e-05 8*0.0 1.927229005865e-05 -7.160721282271e-05
|
||||
8*0.0 7.639195353981e-06 2.217356770696e-05 8*0.0 2.076218155176e-05 -7.153563732723e-05
|
||||
8*0.0 6.987325501043e-06 2.236720726491e-05 8*0.0 2.222230837971e-05 -7.143707499264e-05
|
||||
8*0.0 6.345670870792e-06 2.254782629413e-05 8*0.0 2.365263431107e-05 -7.131196333496e-05
|
||||
8*0.0 5.713293948420e-06 2.271582980307e-05 8*0.0 2.505313279538e-05 -7.116074183144e-05
|
||||
8*0.0 5.090580773073e-06 2.287063642130e-05 8*0.0 2.642378699177e-05 -7.098385178387e-05
|
||||
8*0.0 4.477500313390e-06 2.301312998257e-05 8*0.0 2.776458978171e-05 -7.078173617895e-05
|
||||
8*0.0 3.874246647903e-06 2.314297927451e-05 8*0.0 2.907554376660e-05 -7.055483954607e-05
|
||||
8*0.0 3.291292237122e-06 2.325458816256e-05 8*0.0 3.035666125088e-05 -7.030360781284e-05
|
||||
8*0.0 2.694756157483e-06 2.336671607922e-05 8*0.0 3.160796421165e-05 -7.002848815873e-05
|
||||
8*0.0 2.118082167715e-06 2.346108252866e-05 8*0.0 3.282948425524e-05 -6.972992886708e-05
|
||||
8*0.0 1.550906342692e-06 2.354356909073e-05 8*0.0 3.402126256160e-05 -6.940837917583e-05
|
||||
8*0.0 9.929927983809e-07 2.361479592461e-05 8*0.0 3.518334981717e-05 -6.906428912728e-05
|
||||
8*0.0 4.475746823629e-07 2.367760478497e-05 8*0.0 3.631580613674e-05 -6.869810941702e-05
|
||||
8*0.0 -9.716986471630e-08 2.372303725720e-05 8*0.0 3.741870097517e-05 -6.831029124248e-05
|
||||
8*0.0 -6.293789113248e-07 2.376045594479e-05 8*0.0 3.849211302931e-05 -6.790128615124e-05
|
||||
8*0.0 -1.152705490967e-06 2.378729732949e-05 8*0.0 3.953613013093e-05 -6.747154588925e-05
|
||||
8*0.0 -1.667414053334e-06 2.380354996458e-05 8*0.0 4.055084913109e-05 -6.702152224947e-05
|
||||
8*0.0 -2.173554805020e-06 2.380934611958e-05 8*0.0 4.153637577651e-05 -6.655166692073e-05
|
||||
8*0.0 -2.671071922711e-06 2.380471568889e-05 8*0.0 4.249282457857e-05 -6.606243133747e-05
|
||||
8*0.0 -3.161089855550e-06 2.379122327940e-05 8*0.0 4.342031867529e-05 -6.555426653010e-05
|
||||
8*0.0 -3.641100287387e-06 2.376568021856e-05 8*0.0 4.431898968691e-05 -6.502762297657e-05
|
||||
8*0.0 -4.111739606907e-06 2.373049543481e-05 8*0.0 4.518897756549e-05 -6.448295045494e-05
|
||||
8*0.0 -4.573865523158e-06 2.368552580488e-05 8*0.0 4.603043043895e-05 -6.392069789751e-05
|
||||
8*0.0 -5.033260667921e-06 2.363441471656e-05 8*0.0 4.684350445007e-05 -6.334131324623e-05
|
||||
8*0.0 -5.479489314514e-06 2.357260726250e-05 8*0.0 4.762836359080e-05 -6.274524330991e-05
|
||||
8*0.0 -5.919614889674e-06 2.349984699527e-05 8*0.0 4.838517953230e-05 -6.213293362315e-05
|
||||
8*0.0 -6.350498652197e-06 2.342008711311e-05 8*0.0 4.911413145113e-05 -6.150482830712e-05
|
||||
8*0.0 -6.776884006639e-06 2.333120972888e-05 8*0.0 4.981540585194e-05 -6.086136993245e-05
|
||||
8*0.0 -7.187335601791e-06 2.323137150081e-05 8*0.0 5.048919638699e-05 -6.020299938417e-05
|
||||
8*0.0 -7.593432113377e-06 2.312461071699e-05 8*0.0 5.113570367292e-05 -5.953015572887e-05
|
||||
8*0.0 -7.991412560826e-06 2.300952186361e-05 8*0.0 5.175513510501e-05 -5.884327608425e-05
|
||||
8*0.0 -8.381180243989e-06 2.288622366000e-05 8*0.0 5.234770466936e-05 -5.814279549095e-05
|
||||
8*0.0 -8.762816920584e-06 2.275492190728e-05 8*0.0 5.291363275313e-05 -5.742914678702e-05
|
||||
8*0.0 -9.136679046813e-06 2.261617880254e-05 8*0.0 5.345314595331e-05 -5.670276048480e-05
|
||||
Spline
|
||||
34 3.5
|
||||
2.198518512629381 2.147421636649093 -0.1560071349326178
|
||||
1.2 1.24 0.456129 -1.345792624898757 1.479375000000003 0.2453905617232704
|
||||
1.24 1.28 0.40468 -1.226264750202485 1.508821867406795 -1.226952808616302
|
||||
1.28 1.32 0.357965 -1.1114483742913 1.361587530372839 -0.7750793272574601
|
||||
1.32 1.36 0.315636 -1.006241752632308 1.268578011101944 -0.8446048823560177
|
||||
1.36 1.4 0.277362 -0.9088096151794613 1.167225425219221 -0.7527511433197074
|
||||
1.4 1.44 0.242829 -0.8190447866498586 1.076895288020857 -0.7381405443593912
|
||||
1.44 1.48 0.211743 -0.7364362382211151 0.9883184226977298 -0.6696866792459264
|
||||
1.48 1.52 0.183824 -0.6605852604656771 0.9079560211882186 -0.6456127386565936
|
||||
1.52 1.56 0.158812 -0.5910477199161712 0.8304824925494273 -0.6072373661285504
|
||||
1.56 1.6 0.13646 -0.527523859869634 0.7576140086140012 -0.5504377968284878
|
||||
1.6 1.64 0.116536 -0.4695568406052906 0.6915614729945826 -0.5347614465590119
|
||||
1.64 1.68 0.09882600000000001 -0.4167987777092075 0.6273900994075015 -0.4823914169327255
|
||||
1.68 1.72 0.08312700000000001 -0.3689230485578844 0.5695031293755743 -0.4575478857114137
|
||||
1.72 1.76 0.06925200000000001 -0.3255590280592532 0.5145973830902046 -0.4217920402218352
|
||||
1.76 1.8 0.057026 -0.2864158392051016 0.4639823382635844 -0.3865339534009611
|
||||
1.8 1.84 0.046287 -0.2511526151203394 0.417598263855469 -0.3601971461744589
|
||||
1.84 1.88 0.036886 -0.2194737003135393 0.3743746063145339 -0.3289274619018495
|
||||
1.88 1.92 0.028685 -0.1911025836255056 0.3349033108863121 -0.3084680062167705
|
||||
1.92 1.96 0.021557 -0.1657909651844411 0.2978871501402997 -0.2653255132317116
|
||||
1.96 2 0.015385 -0.1432335556367293 0.2660480885524942 -0.2552299408564956
|
||||
2 2.04 0.010065 -0.1231748122686409 0.2354204956497147 -0.2293797233421972
|
||||
2.04 2.08 0.005500000000000001 -0.1054421952887063 0.207894928848651 -0.2022511657748048
|
||||
2.08 2.12 0.001602000000000001 -0.08978140657653326 0.1836247889556744 -0.1803656135585422
|
||||
2.12 2.16 -0.001706999999999999 -0.07595717840516029 0.1619809153286494 -0.1700363799910177
|
||||
2.16 2.2 -0.004496999999999999 -0.06381487980282521 0.1415765497297272 -0.139488866477396
|
||||
2.2 2.24 -0.006832 -0.05315830238353853 0.1248378857524397 -0.1313831540993758
|
||||
2.24 2.28 -0.008766999999999999 -0.04380191066302035 0.1090719072605146 -0.1162285171253928
|
||||
2.28 2.32 -0.010352 -0.03563405496438115 0.09512448520546758 -0.09120277739843705
|
||||
2.32 2.36 -0.011631 -0.02846186947945623 0.08418015191765513 -0.0970853732812284
|
||||
2.36 2.4 -0.012641 -0.02219346711779371 0.07252990712390771 -0.05170572947660723
|
||||
2.4 2.44 -0.013416 -0.01663926204936881 0.06632521958671483 -0.14921670881236
|
||||
2.44 2.48 -0.013985 -0.01204948468473095 0.04841921452923162 0.2891975647260674
|
||||
2.48 2.84 -0.014371 -0.006787799211707284 0.08312292229635974 -0.08483631287280521
|
||||
2.84 3.5 -0.01 0.02007634639672507 -0.008500295606269857 0.1099349367199619 -0.2904128801769102 0.1912556086105955
|
||||
541
tests/DFTB/scc/hh.spl
Normal file
541
tests/DFTB/scc/hh.spl
Normal file
|
|
@ -0,0 +1,541 @@
|
|||
0.02, 500,1
|
||||
0.0 0.00 -0.23860040, -0.0330, 0.0 0.0 0.470000 0.0 0.0 1.0 T 0.3471 0.4919
|
||||
1.008, 19*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
9*0.0 -5.348426535534e-01 9*0.0 9.609295066913e-01
|
||||
9*0.0 -5.307191496196e-01 9*0.0 9.570732885608e-01
|
||||
9*0.0 -5.265259134681e-01 9*0.0 9.530560381230e-01
|
||||
9*0.0 -5.222704517130e-01 9*0.0 9.488810568721e-01
|
||||
9*0.0 -5.179598017884e-01 9*0.0 9.445517090164e-01
|
||||
9*0.0 -5.136005487776e-01 9*0.0 9.400714156899e-01
|
||||
9*0.0 -5.091988519190e-01 9*0.0 9.354436493849e-01
|
||||
9*0.0 -5.047604778944e-01 9*0.0 9.306719285956e-01
|
||||
9*0.0 -5.002907936205e-01 9*0.0 9.257598126665e-01
|
||||
9*0.0 -4.957948129699e-01 9*0.0 9.207108968376e-01
|
||||
9*0.0 -4.912771999920e-01 9*0.0 9.155288074792e-01
|
||||
9*0.0 -4.867423171535e-01 9*0.0 9.102171975107e-01
|
||||
9*0.0 -4.821941876736e-01 9*0.0 9.047797419958e-01
|
||||
9*0.0 -4.776364149886e-01 9*0.0 8.992201339099e-01
|
||||
9*0.0 -4.730729287283e-01 9*0.0 8.935420800728e-01
|
||||
9*0.0 -4.685064963055e-01 9*0.0 8.877492972418e-01
|
||||
9*0.0 -4.639402194430e-01 9*0.0 8.818455083610e-01
|
||||
9*0.0 -4.593769354344e-01 9*0.0 8.758344389605e-01
|
||||
9*0.0 -4.548190986918e-01 9*0.0 8.697198137029e-01
|
||||
9*0.0 -4.502690758550e-01 9*0.0 8.635053530711e-01
|
||||
9*0.0 -4.457290435409e-01 9*0.0 8.571947701939e-01
|
||||
9*0.0 -4.412005807245e-01 9*0.0 8.507917678056e-01
|
||||
9*0.0 -4.366862088607e-01 9*0.0 8.443000353363e-01
|
||||
9*0.0 -4.321872381271e-01 9*0.0 8.377232461274e-01
|
||||
9*0.0 -4.277051820295e-01 9*0.0 8.310650547715e-01
|
||||
9*0.0 -4.232414182726e-01 9*0.0 8.243290945707e-01
|
||||
9*0.0 -4.187971986414e-01 9*0.0 8.175189751119e-01
|
||||
9*0.0 -4.143736619949e-01 9*0.0 8.106382799557e-01
|
||||
9*0.0 -4.099718372299e-01 9*0.0 8.036905644341e-01
|
||||
9*0.0 -4.055926492512e-01 9*0.0 7.966793535574e-01
|
||||
9*0.0 -4.012369346312e-01 9*0.0 7.896081400240e-01
|
||||
9*0.0 -3.969054312101e-01 9*0.0 7.824803823321e-01
|
||||
9*0.0 -3.925988387758e-01 9*0.0 7.752995029916e-01
|
||||
9*0.0 -3.883177193200e-01 9*0.0 7.680688868302e-01
|
||||
9*0.0 -3.840626121875e-01 9*0.0 7.607918793957e-01
|
||||
9*0.0 -3.798339841509e-01 9*0.0 7.534717854473e-01
|
||||
9*0.0 -3.756322377656e-01 9*0.0 7.461118675378e-01
|
||||
9*0.0 -3.714577304495e-01 9*0.0 7.387153446808e-01
|
||||
9*0.0 -3.673107534199e-01 9*0.0 7.312853911028e-01
|
||||
9*0.0 -3.631915951104e-01 9*0.0 7.238251350770e-01
|
||||
9*0.0 -3.591004547419e-01 9*0.0 7.163376578368e-01
|
||||
9*0.0 -3.550375208854e-01 9*0.0 7.088259925665e-01
|
||||
9*0.0 -3.510029474067e-01 9*0.0 7.012931234678e-01
|
||||
9*0.0 -3.469968473186e-01 9*0.0 6.937419848989e-01
|
||||
9*0.0 -3.430194309948e-01 9*0.0 6.861754605851e-01
|
||||
9*0.0 -3.390704287213e-01 9*0.0 6.785963828980e-01
|
||||
9*0.0 -3.351502024159e-01 9*0.0 6.710075322027e-01
|
||||
9*0.0 -3.312587216279e-01 9*0.0 6.634116362688e-01
|
||||
9*0.0 -3.273959381689e-01 9*0.0 6.558113697454e-01
|
||||
9*0.0 -3.235618631185e-01 9*0.0 6.482093536972e-01
|
||||
9*0.0 -3.197564720263e-01 9*0.0 6.406081551996e-01
|
||||
9*0.0 -3.159797359469e-01 9*0.0 6.330102869915e-01
|
||||
9*0.0 -3.122316066076e-01 9*0.0 6.254182071838e-01
|
||||
9*0.0 -3.085120320717e-01 9*0.0 6.178343190216e-01
|
||||
9*0.0 -3.048209402611e-01 9*0.0 6.102609706987e-01
|
||||
9*0.0 -3.011582831555e-01 9*0.0 6.027004552221e-01
|
||||
9*0.0 -2.975239689887e-01 9*0.0 5.951550103255e-01
|
||||
9*0.0 -2.939179310573e-01 9*0.0 5.876268184296e-01
|
||||
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|
||||
9*0.0 9.280947646943e-06 9*0.0 -9.651867315088e-05
|
||||
9*0.0 9.581683503630e-06 9*0.0 -9.669571777492e-05
|
||||
9*0.0 9.872130076136e-06 9*0.0 -9.683400102816e-05
|
||||
9*0.0 1.015240444141e-05 9*0.0 -9.693404644344e-05
|
||||
9*0.0 1.042269900598e-05 9*0.0 -9.699638180423e-05
|
||||
9*0.0 1.068405765486e-05 9*0.0 -9.702153896682e-05
|
||||
9*0.0 1.093453506225e-05 9*0.0 -9.701005367821e-05
|
||||
9*0.0 1.117547617308e-05 9*0.0 -9.696246539010e-05
|
||||
9*0.0 1.140734120210e-05 9*0.0 -9.687931706943e-05
|
||||
9*0.0 1.162983899906e-05 9*0.0 -9.676115500580e-05
|
||||
9*0.0 1.184485106447e-05 9*0.0 -9.660852861632e-05
|
||||
9*0.0 1.204972744432e-05 9*0.0 -9.642199024805e-05
|
||||
9*0.0 1.225720741067e-05 9*0.0 -9.620209497858e-05
|
||||
9*0.0 1.243169055580e-05 9*0.0 -9.594940041499e-05
|
||||
9*0.0 1.260957086961e-05 9*0.0 -9.566446649152e-05
|
||||
9*0.0 1.277943360594e-05 9*0.0 -9.534785526631e-05
|
||||
9*0.0 1.294821220571e-05 9*0.0 -9.500013071744e-05
|
||||
9*0.0 1.309127854717e-05 9*0.0 -9.462185853871e-05
|
||||
9*0.0 1.320550349037e-05 9*0.0 -9.421360593518e-05
|
||||
9*0.0 1.337511587328e-05 9*0.0 -9.377594141897e-05
|
||||
9*0.0 1.350266430865e-05 9*0.0 -9.330943460546e-05
|
||||
9*0.0 1.362293779834e-05 9*0.0 -9.281465601017e-05
|
||||
9*0.0 1.373803394758e-05 9*0.0 -9.229217684643e-05
|
||||
9*0.0 1.381716029795e-05 9*0.0 -9.174256882423e-05
|
||||
9*0.0 1.393591849579e-05 9*0.0 -9.116640395033e-05
|
||||
9*0.0 1.402662419679e-05 9*0.0 -9.056425432988e-05
|
||||
9*0.0 1.410839576130e-05 9*0.0 -8.993669196966e-05
|
||||
9*0.0 1.418283744448e-05 9*0.0 -8.928428858325e-05
|
||||
9*0.0 1.424995224274e-05 9*0.0 -8.860761539812e-05
|
||||
9*0.0 1.430983110535e-05 9*0.0 -8.790724296490e-05
|
||||
9*0.0 1.436224059577e-05 9*0.0 -8.718374096903e-05
|
||||
9*0.0 1.439693333444e-05 9*0.0 -8.643767804475e-05
|
||||
9*0.0 1.444692136380e-05 9*0.0 -8.566962159166e-05
|
||||
9*0.0 1.447867196190e-05 9*0.0 -8.488013759411e-05
|
||||
9*0.0 1.450364307689e-05 9*0.0 -8.406979044317e-05
|
||||
9*0.0 1.452420619317e-05 9*0.0 -8.323914276168e-05
|
||||
9*0.0 1.448920563394e-05 9*0.0 -8.238875523220e-05
|
||||
9*0.0 1.453885522259e-05 9*0.0 -8.151918642808e-05
|
||||
Spline
|
||||
16 2.08
|
||||
3.729040602121917 1.528691797102741 -0.02094423834462684
|
||||
1.2 1.24 0.031597 -0.1959284110728784 0.3653124999999984 0.1036944205491228
|
||||
1.24 1.28 0.024351 -0.1662056778542427 0.3777558304658931 -0.5184721027456175
|
||||
1.28 1.32 0.018274 -0.1384738775101502 0.315539178136419 -0.2798060095665399
|
||||
1.32 1.36 0.013222 -0.114573812105156 0.2819624569884341 -0.2841788589882761
|
||||
1.36 1.4 0.009072 -0.09338087406922499 0.247860993909841 -0.2553535544806217
|
||||
1.4 1.44 0.005717 -0.07477769161794479 0.2172185673721665 -0.2256569230886414
|
||||
1.44 1.48 0.003059 -0.05848335945899692 0.1901397366015295 -0.2013937531651388
|
||||
1.48 1.52 0.001011 -0.04423887054606722 0.1659724862217128 -0.1875180642507936
|
||||
1.52 1.56 -0.000505 -0.03186115835673399 0.1434703185116176 -0.1891589898316849
|
||||
1.56 1.6 -0.001562 -0.02129149602699666 0.1207712397318154 -0.1495959764224673
|
||||
1.6 1.64 -0.00223 -0.01234785753527927 0.1028197225611193 -0.181207104478451
|
||||
1.64 1.68 -0.002571 -0.004992073831886318 0.08107487002370527 -0.1412006056636846
|
||||
1.68 1.72 -0.00265 0.0008161528628244223 0.0641307973440631 -0.1446154728668473
|
||||
1.72 1.76 -0.002524 0.005252462380588607 0.04677694060004142 -0.1865875028689151
|
||||
1.76 1.8 -0.002251 0.00809899761482113 0.02438644025577158 0.06284048434249809
|
||||
1.8 2.08 -0.001884 0.01035154716012685 0.03192729837687136 -0.2760522871379942 0.3964438998275914 0.06135847458156315
|
||||
587
tests/DFTB/scc/hn.spl
Normal file
587
tests/DFTB/scc/hn.spl
Normal file
|
|
@ -0,0 +1,587 @@
|
|||
0.02, 500,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
20*0.0,
|
||||
8*0.0 4.135963251280e-01 -8.216782635205e-01 8*0.0 -2.602354220528e-01 8.941749987542e-01
|
||||
8*0.0 4.251105473028e-01 -8.275627893446e-01 8*0.0 -2.713072388520e-01 8.917624566843e-01
|
||||
8*0.0 4.358100198513e-01 -8.328202792081e-01 8*0.0 -2.821279657943e-01 8.891968991035e-01
|
||||
8*0.0 4.457260993544e-01 -8.374462030935e-01 8*0.0 -2.926918769355e-01 8.864771341503e-01
|
||||
8*0.0 4.548780283817e-01 -8.414458170487e-01 8*0.0 -3.029937775105e-01 8.836023051505e-01
|
||||
8*0.0 4.632815861590e-01 -8.448308528248e-01 8*0.0 -3.130289895707e-01 8.805718829142e-01
|
||||
8*0.0 4.709632464997e-01 -8.476115762655e-01 8*0.0 -3.227933372006e-01 8.773856566714e-01
|
||||
8*0.0 4.779592797674e-01 -8.497953910194e-01 8*0.0 -3.322831314189e-01 8.740437239080e-01
|
||||
8*0.0 4.843037054026e-01 -8.513918957233e-01 8*0.0 -3.414951548504e-01 8.705464793310e-01
|
||||
8*0.0 4.900204475898e-01 -8.524170679843e-01 8*0.0 -3.504266462485e-01 8.668946031583e-01
|
||||
8*0.0 4.951264989361e-01 -8.528922613859e-01 8*0.0 -3.590752849330e-01 8.630890489028e-01
|
||||
8*0.0 4.996406619095e-01 -8.528398028969e-01 8*0.0 -3.674391752008e-01 8.591310307971e-01
|
||||
8*0.0 5.035892470352e-01 -8.522793887591e-01 8*0.0 -3.755168307620e-01 8.550220109811e-01
|
||||
8*0.0 5.070051264283e-01 -8.512276007223e-01 8*0.0 -3.833071592429e-01 8.507636865617e-01
|
||||
8*0.0 5.099223155543e-01 -8.496999347718e-01 8*0.0 -3.908094467959e-01 8.463579766348e-01
|
||||
8*0.0 5.123704797957e-01 -8.477133735919e-01 8*0.0 -3.980233428499e-01 8.418070093470e-01
|
||||
8*0.0 5.143724837608e-01 -8.452878118966e-01 8*0.0 -4.049488450302e-01 8.371131090622e-01
|
||||
8*0.0 5.159455406934e-01 -8.424457163223e-01 8*0.0 -4.115862842738e-01 8.322787836888e-01
|
||||
8*0.0 5.171045951632e-01 -8.392105626859e-01 8*0.0 -4.179363101631e-01 8.273067122139e-01
|
||||
8*0.0 5.178658473185e-01 -8.356050842341e-01 8*0.0 -4.239998764962e-01 8.221997324812e-01
|
||||
8*0.0 5.182487839839e-01 -8.316500673020e-01 8*0.0 -4.297782271130e-01 8.169608292458e-01
|
||||
8*0.0 5.182628484399e-01 -8.273734772500e-01 8*0.0 -4.352728819883e-01 8.115931225303e-01
|
||||
8*0.0 5.179833397936e-01 -8.227622010342e-01 8*0.0 -4.404856236077e-01 8.060998563021e-01
|
||||
8*0.0 5.173970657137e-01 -8.178509735936e-01 8*0.0 -4.454184836337e-01 8.004843874891e-01
|
||||
8*0.0 5.165196935462e-01 -8.126586423749e-01 8*0.0 -4.500737298723e-01 7.947501753444e-01
|
||||
8*0.0 5.153666037210e-01 -8.072034710527e-01 8*0.0 -4.544538535465e-01 7.889007711693e-01
|
||||
8*0.0 5.139536222030e-01 -8.015027248752e-01 8*0.0 -4.585615568813e-01 7.829398083995e-01
|
||||
8*0.0 5.122972307681e-01 -7.955724936428e-01 8*0.0 -4.623997410058e-01 7.768709930592e-01
|
||||
8*0.0 5.104142837528e-01 -7.894277543472e-01 8*0.0 -4.659714941737e-01 7.706980945828e-01
|
||||
8*0.0 5.083214096166e-01 -7.830825992514e-01 8*0.0 -4.692800803043e-01 7.644249370041e-01
|
||||
8*0.0 5.060343504518e-01 -7.765505282078e-01 8*0.0 -4.723289278456e-01 7.580553905108e-01
|
||||
8*0.0 5.035674716455e-01 -7.698447134888e-01 8*0.0 -4.751216189579e-01 7.515933633611e-01
|
||||
8*0.0 5.009335640532e-01 -7.629781732535e-01 8*0.0 -4.776618790172e-01 7.450427941568e-01
|
||||
8*0.0 4.981439272770e-01 -7.559638227334e-01 8*0.0 -4.799535664373e-01 7.384076444685e-01
|
||||
8*0.0 4.952086398037e-01 -7.488144059925e-01 8*0.0 -4.820006628076e-01 7.316918918065e-01
|
||||
8*0.0 4.921369116446e-01 -7.415423436314e-01 8*0.0 -4.838072633435e-01 7.248995229290e-01
|
||||
8*0.0 4.889374432823e-01 -7.341595544088e-01 8*0.0 -4.853775676462e-01 7.180345274831e-01
|
||||
8*0.0 4.856187388113e-01 -7.266773094127e-01 8*0.0 -4.867158707677e-01 7.111008919676e-01
|
||||
8*0.0 4.821893297844e-01 -7.191061540708e-01 8*0.0 -4.878265545773e-01 7.041025940122e-01
|
||||
8*0.0 4.786578750044e-01 -7.114558996214e-01 8*0.0 -4.887140794239e-01 6.970435969629e-01
|
||||
8*0.0 4.750331251505e-01 -7.037356615204e-01 8*0.0 -4.893829760910e-01 6.899278447664e-01
|
||||
8*0.0 4.713237758627e-01 -6.959539182706e-01 8*0.0 -4.898378380365e-01 6.827592571440e-01
|
||||
8*0.0 4.675382621212e-01 -6.881185761924e-01 8*0.0 -4.900833139158e-01 6.755417250472e-01
|
||||
8*0.0 4.636845552541e-01 -6.802370397669e-01 8*0.0 -4.901241003792e-01 6.682791063850e-01
|
||||
8*0.0 4.597700120762e-01 -6.723162934881e-01 8*0.0 -4.899649351401e-01 6.609752220163e-01
|
||||
8*0.0 4.558012970611e-01 -6.643629943361e-01 8*0.0 -4.896105903089e-01 6.536338519965e-01
|
||||
8*0.0 4.517843791660e-01 -6.563835651509e-01 8*0.0 -4.890658659842e-01 6.462587320714e-01
|
||||
8*0.0 4.477245806206e-01 -6.483842682778e-01 8*0.0 -4.883355840999e-01 6.388535504094e-01
|
||||
8*0.0 4.436266557089e-01 -6.403712421341e-01 8*0.0 -4.874245825179e-01 6.314219445636e-01
|
||||
8*0.0 4.394948776594e-01 -6.323504920791e-01 8*0.0 -4.863377093648e-01 6.239674986554e-01
|
||||
8*0.0 4.353331203631e-01 -6.243278413674e-01 8*0.0 -4.850798176046e-01 6.164937407723e-01
|
||||
8*0.0 4.311449298079e-01 -6.163088597506e-01 8*0.0 -4.836557598419e-01 6.090041405709e-01
|
||||
8*0.0 4.269335857538e-01 -6.082987919690e-01 8*0.0 -4.820703833520e-01 6.015021070778e-01
|
||||
8*0.0 4.227021594021e-01 -6.003025060456e-01 8*0.0 -4.803285253299e-01 5.939909866819e-01
|
||||
8*0.0 4.184535586037e-01 -5.923244722046e-01 8*0.0 -4.784350083549e-01 5.864740613080e-01
|
||||
8*0.0 4.141905902106e-01 -5.843687733241e-01 8*0.0 -4.763946360637e-01 5.789545467668e-01
|
||||
8*0.0 4.099159913596e-01 -5.764391419588e-01 8*0.0 -4.742121890287e-01 5.714355912739e-01
|
||||
8*0.0 4.056324689445e-01 -5.685390102455e-01 8*0.0 -4.718924208344e-01 5.639202741289e-01
|
||||
8*0.0 4.013427173579e-01 -5.606715625335e-01 8*0.0 -4.694400543482e-01 5.564116045506e-01
|
||||
8*0.0 3.970494199592e-01 -5.528397805310e-01 8*0.0 -4.668597781798e-01 5.489125206593e-01
|
||||
8*0.0 3.927552330983e-01 -5.450464754899e-01 8*0.0 -4.641562433247e-01 5.414258886016e-01
|
||||
8*0.0 3.884627555107e-01 -5.372943058866e-01 8*0.0 -4.613340599865e-01 5.339545018100e-01
|
||||
8*0.0 3.841744884161e-01 -5.295857826417e-01 8*0.0 -4.583977945741e-01 5.265010803917e-01
|
||||
8*0.0 3.798995071024e-01 -5.219231887056e-01 8*0.0 -4.553519668676e-01 5.190682706419e-01
|
||||
8*0.0 3.756330961685e-01 -5.143063357069e-01 8*0.0 -4.522010473501e-01 5.116586446732e-01
|
||||
8*0.0 3.713765513438e-01 -5.067397097015e-01 8*0.0 -4.489494546992e-01 5.042747001581e-01
|
||||
8*0.0 3.671313008231e-01 -4.992253448760e-01 8*0.0 -4.456015534350e-01 4.969188601780e-01
|
||||
8*0.0 3.628986571602e-01 -4.917651338134e-01 8*0.0 -4.421616517194e-01 4.895934731728e-01
|
||||
8*0.0 3.586798292503e-01 -4.843608225987e-01 8*0.0 -4.386339993023e-01 4.823008129873e-01
|
||||
8*0.0 3.544759355374e-01 -4.770140096317e-01 8*0.0 -4.350227856119e-01 4.750430790092e-01
|
||||
8*0.0 3.502880159452e-01 -4.697261496908e-01 8*0.0 -4.313321379820e-01 4.678223963923e-01
|
||||
8*0.0 3.461170456992e-01 -4.624985628122e-01 8*0.0 -4.275661200157e-01 4.606408163631e-01
|
||||
8*0.0 3.419639468990e-01 -4.553324461012e-01 8*0.0 -4.237287300789e-01 4.535003166028e-01
|
||||
8*0.0 3.378295980688e-01 -4.482288878367e-01 8*0.0 -4.198238999198e-01 4.464028017039e-01
|
||||
8*0.0 3.337148413215e-01 -4.411888813510e-01 8*0.0 -4.158554934122e-01 4.393501036944e-01
|
||||
8*0.0 3.296204864505e-01 -4.342133374287e-01 8*0.0 -4.118273054167e-01 4.323439826268e-01
|
||||
8*0.0 3.255473120097e-01 -4.273030942449e-01 8*0.0 -4.077430607571e-01 4.253861272280e-01
|
||||
8*0.0 3.214960637634e-01 -4.204589244523e-01 8*0.0 -4.036064133084e-01 4.184781556055e-01
|
||||
8*0.0 3.174674511823e-01 -4.136815395441e-01 8*0.0 -3.994209451909e-01 4.116216160071e-01
|
||||
8*0.0 3.134621427811e-01 -4.069715919432e-01 8*0.0 -3.951901660701e-01 4.048179876299e-01
|
||||
8*0.0 3.094807612424e-01 -4.003296755612e-01 8*0.0 -3.909175125548e-01 3.980686814757e-01
|
||||
8*0.0 3.055238789877e-01 -3.937563257635e-01 8*0.0 -3.866063476935e-01 3.913750412486e-01
|
||||
8*0.0 3.015920162989e-01 -3.872520180399e-01 8*0.0 -3.822599605628e-01 3.847383442929e-01
|
||||
8*0.0 2.976856379870e-01 -3.808171698548e-01 8*0.0 -3.778815659464e-01 3.781598025669e-01
|
||||
8*0.0 2.938051561832e-01 -3.744521400531e-01 8*0.0 -3.734743040997e-01 3.716405636510e-01
|
||||
8*0.0 2.899509321841e-01 -3.681572311878e-01 8*0.0 -3.690412405985e-01 3.651817117854e-01
|
||||
8*0.0 2.861232808924e-01 -3.619326921983e-01 8*0.0 -3.645853662662e-01 3.587842689368e-01
|
||||
8*0.0 2.823224764305e-01 -3.557787218180e-01 8*0.0 -3.601095971790e-01 3.524491958901e-01
|
||||
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|
||||
8*0.0 -7.013691982585e-06 3.462167646325e-05 8*0.0 3.207709220692e-05 -5.584197266279e-05
|
||||
8*0.0 -7.464162838996e-06 3.444459486466e-05 8*0.0 3.261241133233e-05 -5.517662956152e-05
|
||||
8*0.0 -7.905964668184e-06 3.425628909948e-05 8*0.0 3.312797416494e-05 -5.449888950567e-05
|
||||
8*0.0 -8.338463169173e-06 3.405656001271e-05 8*0.0 3.362391855971e-05 -5.380917038988e-05
|
||||
8*0.0 -8.760891723944e-06 3.384518024090e-05 8*0.0 3.410038794695e-05 -5.310788758547e-05
|
||||
8*0.0 -9.178504944389e-06 3.362562048053e-05 8*0.0 3.455753115690e-05 -5.239545381563e-05
|
||||
8*0.0 -9.585592729125e-06 3.339835514767e-05 8*0.0 3.499550224421e-05 -5.167227903418e-05
|
||||
8*0.0 -9.983345329639e-06 3.315329874072e-05 8*0.0 3.541446031272e-05 -5.093877030782e-05
|
||||
8*0.0 -1.037247672363e-05 3.290190532499e-05 8*0.0 3.581456934062e-05 -5.019533170218e-05
|
||||
8*0.0 -1.075418914512e-05 3.264038224340e-05 8*0.0 3.619599800620e-05 -4.944236417137e-05
|
||||
8*0.0 -1.112444402960e-05 3.237020891788e-05 8*0.0 3.655891951429e-05 -4.868026545114e-05
|
||||
8*0.0 -1.148723127137e-05 3.209030421208e-05 8*0.0 3.690351142358e-05 -4.790942995573e-05
|
||||
8*0.0 -1.184125625599e-05 3.180130622068e-05 8*0.0 3.722995547499e-05 -4.713024867827e-05
|
||||
8*0.0 -1.218649664156e-05 3.150345664661e-05 8*0.0 3.753843742115e-05 -4.634310909477e-05
|
||||
8*0.0 -1.252299755133e-05 3.119700271514e-05 8*0.0 3.782914685717e-05 -4.554839507172e-05
|
||||
8*0.0 -1.285099336035e-05 3.088251209569e-05 8*0.0 3.810227705285e-05 -4.474648677720e-05
|
||||
Spline
|
||||
63 3.96
|
||||
1.958336446918536 1.791710281689402 -0.1275386902804464
|
||||
1.2 1.24 0.444646 -1.120530133344993 1.097187499999993 0.1516458406212986
|
||||
1.24 1.28 0.40159 -1.032027233310011 1.115385000874549 -0.7582292031064579
|
||||
1.28 1.32 0.362045 -0.9464359334149578 1.024397496501774 -0.4781040281957513
|
||||
1.32 1.36 0.325796 -0.8667790330301554 0.9670250131182839 -0.5324796841090278
|
||||
1.36 1.4 0.292638 -0.7919729344644159 0.9031274510252005 -0.4857272353719776
|
||||
1.4 1.44 0.262373 -0.7220542291121856 0.8448401827805635 -0.4777363743981323
|
||||
1.44 1.48 0.234812 -0.6567601490868515 0.7875118178527876 -0.4470772670372377
|
||||
1.48 1.52 0.209773 -0.5959051745404073 0.733862545808319 -0.4370795574529246
|
||||
1.52 1.56 0.187083 -0.5392941527515157 0.681412998913968 -0.3983545031515375
|
||||
1.56 1.6 0.166576 -0.4866932144535256 0.6336104585357835 -0.4070024299407907
|
||||
1.6 1.64 0.148096 -0.4379579894343787 0.5847701669428885 -0.3642607770868267
|
||||
1.64 1.68 0.13149 -0.3929248278089646 0.5410588736924695 -0.3547044617086475
|
||||
1.68 1.72 0.116616 -0.3513426993297685 0.4984943382874318 -0.341921376080264
|
||||
1.72 1.76 0.103338 -0.3131043748719592 0.4574637731578001 -0.3088600339704162
|
||||
1.76 1.8 0.091526 -0.2779898011823931 0.4204005690813501 -0.3132634880377578
|
||||
1.8 1.84 0.08105900000000001 -0.2458614203984664 0.3828089505168191 -0.2818360138790718
|
||||
1.84 1.88 0.07181899999999999 -0.2165895172237403 0.3489886288513305 -0.2625174564459439
|
||||
1.88 1.92 0.063697 -0.1899305107065746 0.3174865340778174 -0.2618441603362546
|
||||
1.92 1.96 0.056591 -0.1657884399499632 0.2860652348374668 -0.236980902209605
|
||||
1.96 2 0.050402 -0.1440407294935719 0.2576275265723141 -0.2121072308253226
|
||||
2 2.04 0.045039 -0.1244486420757483 0.2321746588732754 -0.2270901744891296
|
||||
2.04 2.08 0.040418 -0.1069647022034341 0.2049238379345798 -0.1764070712181363
|
||||
2.08 2.12 0.036456 -0.09141754911051475 0.1837549893884035 -0.1922815406383736
|
||||
2.12 2.16 0.033081 -0.07764010135450666 0.1606812045117986 -0.163841766228271
|
||||
2.16 2.2 0.030222 -0.06557204547145846 0.1410201925644061 -0.1523513944485733
|
||||
2.2 2.24 0.027815 -0.05502171675965912 0.1227380252305773 -0.1486276559774327
|
||||
2.24 2.28 0.025801 -0.0459160874899046 0.1049027065132853 -0.1281379816420179
|
||||
2.28 2.32 0.024124 -0.03813893328072354 0.08952614871624333 -0.1200704174538345
|
||||
2.32 2.36 0.022734 -0.03155317938720248 0.07511769862178318 -0.1103303485430297
|
||||
2.36 2.4 0.021585 -0.02607334917046636 0.0618780567966196 -0.09485818837399471
|
||||
2.4 2.44 0.020635 -0.02157842393093196 0.05049507419174022 -0.08836189796102652
|
||||
2.44 2.48 0.019847 -0.01796295510580567 0.03989164643641703 -0.08294421978188748
|
||||
2.48 2.52 0.019187 -0.01516975564584537 0.02993834006259052 -0.06423622291136394
|
||||
2.52 2.56 0.018624 -0.01308302231081267 0.02222999331322684 -0.06636088857279117
|
||||
2.56 2.6 0.018132 -0.01162315511090392 0.0142666866844919 -0.04532022279730268
|
||||
2.6 2.64 0.017687 -0.01069935724557162 0.008828259948815569 -0.04923322023813293
|
||||
2.64 2.68 0.01727 -0.01022941590680941 0.002920273520239612 -0.03899689625012005
|
||||
2.68 2.72 0.016863 -0.01018297912719082 -0.001759354029774797 -0.02915419476134984
|
||||
2.72 2.76 0.016451 -0.01046366758442728 -0.00525785740113678 -0.01626132470461935
|
||||
2.76 2.8 0.016023 -0.01096235053510039 -0.007209216365691083 -0.03080050641996023
|
||||
2.8 2.84 0.015571 -0.01168693027517149 -0.01090527713608631 -0.001161649615644783
|
||||
2.84 2.88 0.015086 -0.01256492836421349 -0.01104467508996369 -0.0114278951174793
|
||||
2.88 2.92 0.014565 -0.01350335626797449 -0.0124160225040612 -1.769914404547873e-06
|
||||
2.92 2.96 0.014005 -0.01449664656388852 -0.01241623489378975 -0.004190025224917127
|
||||
2.96 3 0.013405 -0.01551005747647131 -0.01291903792077981 0.01676187081407315
|
||||
3 3.04 0.012765 -0.01646312353022614 -0.01090761342309103 -0.0003574580313694921
|
||||
3.04 3.08 0.012089 -0.017337448402624 -0.01095050838685536 0.015917961311384
|
||||
3.08 3.12 0.011379 -0.01813708285927778 -0.009040353029489284 0.01481061278585725
|
||||
3.12 3.16 0.01064 -0.01878922016026481 -0.007263079495186411 0.01858958754516998
|
||||
3.16 3.2 0.009878 -0.01928103649966291 -0.005032328989766011 0.02020603703349177
|
||||
3.2 3.24 0.0091 -0.01958663384108343 -0.002607604545746997 0.009961264320811706
|
||||
3.24 3.28 0.008312999999999999 -0.01974742813600329 -0.001412252827249591 0.03369890568318838
|
||||
3.28 3.32 0.007523 -0.01969865361490396 0.002631615854732973 0.01149311294666419
|
||||
3.32 3.36 0.00674 -0.01943295740438133 0.004010789408332677 0.02970364253001686
|
||||
3.36 3.4 0.005971 -0.01896951676757064 0.007575226511934704 0.01031731693328949
|
||||
3.4 3.44 0.005225 -0.01831397552533607 0.008813304543929444 0.02277708973682119
|
||||
3.44 3.48 0.004508 -0.01749958113108497 0.01154655531234799 0.02357432411941612
|
||||
3.48 3.52 0.003828 -0.01646269995032393 0.01437547420667793 0.007925613785524125
|
||||
3.52 3.56 0.003193 -0.01527461906761918 0.01532654786094082 0.02284822073847759
|
||||
3.56 3.6 0.002608 -0.01393882377919923 0.01806833434955813 -0.02119349673943233
|
||||
3.6 3.64 0.002078 -0.01259508581558385 0.01552511474082625 0.140050766219256
|
||||
3.64 3.68 0.001608 -0.01068083295846532 0.03233120668713699 -0.4921345681375958
|
||||
3.68 3.96 0.001201 -0.01045658235055482 -0.02672494148937456 0.5394845384125819 -1.902438226185655 2.134041867804926
|
||||
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Reference in a new issue