nuclear-nuclear repulsion energy

Hanning Chen chenh... at gmail.com
Wed Oct 2 14:27:27 UTC 2013


Dear CP2k developers,

  Is there anyway to print out the nuclear-nuclear (ion-ion) repulsion
energy in CP2K DFT (QuickStep) simulation? I could not find the option in
the input manual for such print-out, or please kindly let me know which
source file in CP2K is in charge of the ion-ion repulsion energy.

  Thanks.

Chen
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