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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