Dear all,
is there a way to get the total energy of an isolated atom considering all electrons, i.e., valence and core, from VASP (EATOM in POTCAR is for a pseudoatom)?
Best regards!
all electron total energy (valence and core) available?
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stesch
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Re: all electron total energy (valence and core) available?
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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VASP