[Pw_forum] relativitic pseudopotential for Bi, PZ approximation

[Peng Tao]

Sorry for my misleading words.(-： I was just insisting that it's better be free, for the commercialization is a bit like VASP or win2k.

Plato


> -----原始邮件-----
> 发件人: "Nicola Marzari" <nicola.marzari at epfl.ch>
> 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: pw_forum <pw_forum at pwscf.org>
> 主题: Re: [Pw_forum] relativitic pseudopotential for Bi, PZ approximation
> 
> 
> 
> Dear Plato,
> 
> 
> the point is that QE is a free, open-source community project, a bit
> like Linux (as opposed to, say, Windows or Mac) - the spirit is to try
> and empower people to become electronic-structure researchers,
> rather than users.
> 
> Becoming an expert in pseudopotential generation (or any other
> complex task of one's choice) makes someone a better scientist,
> in this field. Of course, time is limited, and goals can be
> different, so everyone is welcome to make whatever use of the
> tool they wish for.
> 
> Still, the world will be a more interesting place if everyone
> asks oneself what they can do for the community, rather than
> what the community can do for them (JFK, more or less).
> 
> 			nicola
> 
> 
> On 12/04/2012 03:33, Peng Tao wrote:
> > 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
> 
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL



--
-------------------------------------------------------------------
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
-------------------------------------------------------------------