[Pw_forum] magnetic coupling

[lfhuang]

Dear A.S.Santos:
    First, please attach your affiliation at the bottom of your letter, because it is a nettiquette;
    Second, please give more detailed information/data on your work if you want anyone to answer your question;
    Third, please do not send FOUR letters on the same title at one time! Just one is enough.
Best Wishes!
Yours Sincerely

> From: ?lvaro Alves 
> Subject: [Pw_forum] magnetic coupling
> To: pw 
> Message-ID: 
> Content-Type: text/plain; charset="iso-8859-1"
> 
> Hello everyone. I'm trying to calculate the magnetic coupling in a dinuclear compound of copper. Compared with the experimental results, we find that the magnitude of the magnetic moments are not good. What can I try to change parameters to get a better result?
> 
> Regards,
> 
> A. S. Santos
> Subject: [Pw_forum] magnetic coupling
> To: pw_forum at pwscf.org
> Message-ID: 
> Content-Type: text/plain; charset="iso-8859-1"
> 
> ? Hello everyone. I'm trying to calculate the magnetic coupling in a
> dinuclear compound of copper. Compared with the experimental results,
> we find that the magnitude of the magnetic moments are not good. What
> can I try to change parameters to get a better result?
> 
> Regards,
> 
> A. S. Santos
> 
> 
> 
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> Subject: [Pw_forum] magnetic coupling
> To: pw 
> Message-ID: 
> Content-Type: text/plain; charset="iso-8859-1"
> 
> Hello everyone. I'm trying to calculate the magnetic coupling in a
> dinuclear compound of copper. Compared with the experimental results,
> we find that the magnitude of the magnetic moments are not good. What
> can I try to change parameters to get a better result?
> 
> Regards,
> 
> A. S. Alves
> 
> Subject: [Pw_forum] magnetic coupling
> To: pw 
> Message-ID: 
> Content-Type: text/plain; charset="iso-8859-1"
> 
> Hello everyone. I'm trying to calculate the magnetic coupling in a
> dinuclear compound of copper. Compared with the experimental results,
> we find that the magnitude of the magnetic moments are not good. What
> can I try to change parameters to get a better result?
> 
> Regards,
> 
>  A. S. Alves
> 
------
======================================================================
L.F.Huang(黄良锋) ph.D candidate
======================================================================
Add: Research Laboratory for Computational Materials Sciences,
Instutue of Solid State Physics,the Chinese Academy of Sciences,
P.O.Box 1129, Hefei 230031, P.R.China
Tel: 86-551-5591464-328(office)
Fax: 86-551-5591434
Web: http://theory.issp.ac.cn (website of our theory group)
http://www.issp.ac.cn    (website of our institute)
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