[Pw_forum] AFM not equal to 0

[Duy Le]

I think it depends on how you dope the system and the structure of the
system. If you don't mind, could you pls share the input.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"


2009/10/27 Q.J.Wang <wangqj1 at 126.com>

> Dear all
>      When I use 'relax ' to optimize the geometry of a doped system ,but
> the total magnetization of AFM equal to 1 or -1 Bohr mag/cell ,but not to 0
> .I think it should equal to 0. So I want to know whether the result credible
> or not ? If not credible ,what I should do to improve it ?
>
>
> --
> Best regards
>
> Q.J.Wang
>
> XiangTan University
>
>
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