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the total energy of the charged system

Posted: Mon Jan 20, 2014 5:05 am
by windintone
Hi, Dear friends, I have a question about the total energy of charged system. I tried to calculate charged system with one additional electron each primitive cell (periodic system). Will the background charge jellium introduce spurious contribution to the total energy of the charged system? And how can I evaluate that contribution? Thanks a lot!

Re: the total energy of the charged system

Posted: Thu Sep 12, 2024 8:38 am
by support_vasp

Hi,

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