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53 lines
726 B
Text
53 lines
726 B
Text
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echo
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start both
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geometry "system" noautosym
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O 0.00000000 -0.00001441 -0.34824012
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H -0.00000000 0.76001092 -0.93285191
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H 0.00000000 -0.75999650 -0.93290797
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end
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set geometry "system"
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basis spherical
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* library 6-31G
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end
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dft
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xc pbe0
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end
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task dft energy
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dplot
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gaussian
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limitxyz
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-10 10 101
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-10 10 101
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-10 10 101
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end
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rt_tddft
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dt 0.2
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tmax 0.6
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tag "driver"
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field "driver"
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type gaussian
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polarization z
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frequency 0.3768
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center 393.3
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width 64.8
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max 0.0001
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end
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visualization
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tstart 0.0
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tend 0.6
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treference 0.0
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dplot
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end
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excite "system" with "driver"
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end
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task dft rt_tddft
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