[Pw_forum] relativitic pseudopotential for Bi, PZ approximation

Peng Tao ptao10b at imr.ac.cn
Thu Apr 12 03:33:41 CEST 2012


It's a nice idea but the generation of pseudo is a boring and complicated work. The most important point is the market is too limited and researchers have the choice changing pwscf to VASP or win2k. Thus I am not sure about this deal. It is just my personal view and hope there would be pseudos available as many as possible. 

Plato Tao
> -----原始邮件-----
> 发件人: "Axel Kohlmeyer" <akohlmey at gmail.com>
> 发送时间: 2012年4月12日 星期四
> 收件人: "Peng Tao" <ptao10b at imr.ac.cn>
> 抄送: "ramzi alaya" <ramzialaya at hotmail.fr>, pw_forum <pw_forum at pwscf.org>
> 主题: Re: [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
> 
> On Wed, Apr 11, 2012 at 8:23 PM, Peng Tao <ptao10b at imr.ac.cn> wrote:
> > It's really a pity that pwscf has so few pseudopotentials. T_T
> 
> here is a business opportunity:
> 
> p-bay
> 
> where people can bid on custom pseudopotentials.
> 
> all that is need would be a suitable currency. i could
> imagine that if something valuable enough was offered
> in exchange, some people might become interested
> in specializing on generating custom potentials.
> 
> <evil grin>,
>     axel.
> 
> 
> > -----原始邮件-----
> > 发件人: "ramzi alaya" <ramzialaya at hotmail.fr>
> > 发送时间: 2012年4月11日 星期三
> > 收件人: pw_forum at pwscf.org
> > 抄送:
> > 主题: [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
> >
> >
> > Dear all;
> >
> > I checked the Pwscf for US Bi PZ relativitic pseudopotential but could not
> > find or generate it myself . Thus could you please send me Bi US
> > pseudopotential with PZ approximation.
> >
> > Thank you.
> > Regards.
> >
> >
> >
> > **********************************************************************************
> > Ramzi Alaya
> >
> > E-mail : ramzialaya at hotmail.fr
> > Faculté des Sciences de Gabès, Cité Erriadh 6072 Gabès- Tunisie
> > Unité de Recherche sur les Hétéro-Epitaxies et Applications
> >
> >
> >
> >
> >
> >
> > --
> > -------------------------------------------------------------------
> > PH.D. candidate Peng Tao
> > Magnetism and Magnetic Materials Division
> > National Laboratory for Material Science
> > Institute of Metal Research, Chinese Academy of Sciences
> > Phone  +86-024-83978751
> > -------------------------------------------------------------------
> >
> >
> > _______________________________________________
> > Pw_forum mailing list
> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> >
> 
> 
> 
> -- 
> Dr. Axel Kohlmeyer
> akohlmey at gmail.com  http://goo.gl/1wk0
> 
> College of Science and Technology
> Temple University, Philadelphia PA, USA.



--
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PH.D. candidate Peng Tao 
Magnetism and Magnetic Materials Division
National Laboratory for Material Science
Institute of Metal Research, Chinese Academy of Sciences
Phone  +86-024-83978751
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