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some problems about NUPDOWN
Posted: Wed Nov 12, 2008 6:07 am
by linglin
Let me explain what I want to do. In my calculation the structure contains two same atoms. And I want to move an electron from an atom to the other one. (e.g. 2f7----->f6+f8) My question is :How to set NUPDOWN for different atoms? Or how to set FERWE and FERDO?
Thx.
Re: some problems about NUPDOWN
Posted: Wed Sep 11, 2024 1:55 pm
by support_vasp
Hi,
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