[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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