Force on Nuclei
Pankaj Mishra
pkmis... at gmail.com
Mon Oct 14 17:24:49 UTC 2013
Dear All,
I am doing some DFT calculation on water molecule with EF. I am interested
to know about the forces on nuclei and electrons. Is there some way in CP2K
by which i can get all forces working on nucleus and electrons?
Looking forward to your response
Thank you so much
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