Print dipole moment of each atoms
Shun
shun3... at gmail.com
Tue Sep 26 09:35:51 UTC 2017
Dear CP2K experts,
I am trying to calculate dipole moments in MD to get the Infrared spectrum
of zeolite and putting &MOMENTS section in input file to get it.
however, the dipole moment printed by this setting is the one of whole
model. I would like to get moments of each atoms.
if you have any suggestions or solutions, let me know please.
shun
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