NWChem/contrib/basissets/Dyall/dyall_nradz
Huub Van Dam 97f303e6f8 HvD: In the CVS era the $Id: $ tags in the source code files would
automatically be expanded to include useful information about the
checkin (including the file's revision number). With the switch over
to SVN this was lost because SVN only does this expansion if you 
explicitly ask for it (for every single file). 

I have added a script to the contrib directory that sets the appropriate
property to get SVN to do this expansion. This script will make it easy
to do this every time new source files are added. It is called
svn_expand_Id, the script contains some comments that explain the issue
and how it addresses this.  

This checkin sets this property for a subset of the relevant files
(trying to commit all files at once failed with svn crashing). 
In future the script will only affect those files for which the property
was not set before.
2010-10-29 18:04:21 +00:00

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2.4 KiB
Text

# $Id$
basis "Ga_dyall_nradz" SPHERICAL
Ga s
2.2584837E-02 1.00000000000E+00
Ga p
1.4114106E-02 1.00000000000E+00
Ga d
5.1988407E-02 1.00000000000E+00
end
basis "Ge_dyall_nradz" SPHERICAL
Ge s
3.1119478E-02 1.00000000000E+00
Ge p
2.1521009E-02 1.00000000000E+00
Ge d
7.4279875E-02 1.00000000000E+00
end
basis "As_dyall_nradz" SPHERICAL
As s
3.9056937E-02 1.00000000000E+00
As p
2.8210036E-02 1.00000000000E+00
As d
9.9658246E-02 1.00000000000E+00
end
basis "Se_dyall_nradz" SPHERICAL
Se s
4.6883555E-02 1.00000000000E+00
Se p
3.4715887E-02 1.00000000000E+00
Se d
1.2732686E-01 1.00000000000E+00
end
basis "Br_dyall_nradz" SPHERICAL
Br s
5.4735417E-02 1.00000000000E+00
Br p
4.1135355E-02 1.00000000000E+00
Br d
1.5791138E-01 1.00000000000E+00
end
basis "In_dyall_nradz" SPHERICAL
In s
1.9080051E-02 1.00000000000E+00
In p
1.2912051E-02 1.00000000000E+00
In d
4.3256002E-02 1.00000000000E+00
end
basis "Sn_dyall_nradz" SPHERICAL
Sn s
2.5255859E-02 1.00000000000E+00
Sn p
1.8648892E-02 1.00000000000E+00
Sn d
5.9611917E-02 1.00000000000E+00
end
basis "Sb_dyall_nradz" SPHERICAL
Sb s
3.0866488E-02 1.00000000000E+00
Sb p
2.3716652E-02 1.00000000000E+00
Sb d
7.8179474E-02 1.00000000000E+00
end
basis "Te_dyall_nradz" SPHERICAL
Te s
3.6280012E-02 1.00000000000E+00
Te p
2.8540848E-02 1.00000000000E+00
Te d
9.9043816E-02 1.00000000000E+00
end
basis "I_dyall_nradz" SPHERICAL
I s
4.1613213E-02 1.00000000000E+00
I p
3.3223771E-02 1.00000000000E+00
I d
1.2197175E-01 1.00000000000E+00
end
basis "Tl_dyall_nradz" SPHERICAL
Tl s
1.8242201E-02 1.00000000000E+00
Tl p
1.2384082E-02 1.00000000000E+00
Tl d
4.0441552E-02 1.00000000000E+00
end
basis "Pb_dyall_nradz" SPHERICAL
Pb s
2.3695417E-02 1.00000000000E+00
Pb p
1.7559345E-02 1.00000000000E+00
Pb d
5.5473501E-02 1.00000000000E+00
end
basis "Bi_dyall_nradz" SPHERICAL
Bi s
2.8546229E-02 1.00000000000E+00
Bi p
2.2024153E-02 1.00000000000E+00
Bi d
7.1185376E-02 1.00000000000E+00
end
basis "Po_dyall_nradz" SPHERICAL
Po s
3.3122032E-02 1.00000000000E+00
Po p
2.6189200E-02 1.00000000000E+00
Po d
8.9783780E-02 1.00000000000E+00
end
basis "At_dyall_nradz" SPHERICAL
At s
3.7565903E-02 1.00000000000E+00
At p
3.0148676E-02 1.00000000000E+00
At d
1.1016375E-01 1.00000000000E+00
end