[Wien] about calculating the magnetic moment

[Torsten Andersen]

Dear Yiyang,

The SPIN-moment is, yes. And you will have an "interstitial" moment, 
too. In addition, I presume, you can calculate orbital moments, using 
the programme "orb".

Best regards,
Torsten Andersen.

Sun Yiyang wrote:
> Dear WIEN users,
>  
> I have no experience using WIEN2k. I wonder how the magnetic moment of an atom is calculated in WIEN2k. Is it just the difference between the spinup and spindown densities within the MT sphere? If so, how to handle the MT radius? As I know, the MT radii in LAPW calculations are usually adjustable in order to achieve a compromise between the accuracy and the efficiency.
>  
> Yours,
> Yiyang
>  
>  
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/