[CP2K-user] Pseudopotential Energy

Nicholas Winner nwi... at berkeley.edu
Tue Mar 24 19:34:54 UTC 2020

Does CP2K subtract away the pseudopotential energy when calculating total 
energy in an SCF cycle? 

So the actual total energy would then be the reported total energy minus 
the sum of the pseudopotential energies? 

I think I read somewhere on this forum that it does not, but cannot seem to 
find it.

Thanks for the help,
Nick Winner
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