[Pw_forum] calculation of 'local' moments in a scf calculation

[程迎春]

You can search of the forum using the key words "local moment".  This has
been discussed in detail before.
Hope it helps.

2009/9/13 sreekar guddeti <colonel.sreekar at gmail.com>

> Dear QE users,
> i performed a scf caculation under LSDA of a supercell containing 32 atoms.
> One cationic site of GaAs host matrix is replaced by Mn. i want to calculate
> the 'local' moment on Mn atom.
>
> sincerely,
> Sreekar Guddeti
> B.Tech+M.Tech
> Engineering Physics
> IIT Bombay
> India
>
> --
> Sreekar Guddeti
>
>
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-- 
Y. C. Cheng
Department of Physics
Nanjing University
Nanjing 210093
P. R. China
Tel: 86-25-83592907
Email: yccheng.nju at gmail.com
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