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.
some problems about NUPDOWN
Moderators: Global Moderator, Moderator
-
linglin
some problems about NUPDOWN
Last edited by linglin on Wed Nov 12, 2008 6:07 am, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: some problems about NUPDOWN
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.
Best wishes,
VASP