the total energy of the charged system
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windintone
the total energy of the charged system
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!
Last edited by windintone on Mon Jan 20, 2014 5:05 am, edited 1 time in total.
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support_vasp
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Re: the total energy of the charged system
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