[Pw_forum] spin glass calculation by first principle method

[Stefano Baroni]

using supercells and a lot of intuition/common sense
SB

On Jan 14, 2009, at 2:00 AM, yumin qian wrote:

> Dear all PWSCF user
>    Right now I meet a problem in solid crystal calculation , if I  
> think the crystal is at the state of spin glass, i.e.  the transition
>  metal in the crystal have a local moment but does not have a long  
> range order , how should I use PWSCF to investigate
> electronic structure of this kind of ground state .
>   Many thanks
>
> -- 
> Sincerely Y. M. Qian
> Lab.of Condensed Matter Theory and Materials Computation
> Institute of Physics
> Chinese Academy of Sciences
> Tel:  + 8610 8264 9147
> E-Mail:yuminqian at gmail.com
> P.O.Box 603   Beijing 100190
> China
>
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center -  
Trieste
http://www.sissa.it/~baroni / [+39] 040 3787 406 (tel) -528 (fax) /  
stefanobaroni (skype)

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