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Finite Field Calculation in MP4
kaushik hatua
kaushikchemhatua@gmail.com
Dear all,
I am a newcomer in FIREFLY Forum. I like calculate Finite field Calculation of some of the molecules in MP4 level. when i submit the job
with RUNTYP=FFIELD i got only the Z component of the tensors. can anybody tell me how to arrange the input for getting all the tensor quantities and also using different electric field instead of default 0.001 au field. any suggestion will be appreciated.
Thanks in advance
[ This message was edited on Wed Sep 14 '11 at 5:05pm by the author ]
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Wed Sep 14 '11 5:05pm
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