[Pw_forum] How to plot the potential curve during pseudopotential generation?

[陶鹏]

And sorry for another question, is it possible to visualize the potential curve of each orbit?


> -----原始邮件-----
> 发件人: "Lorenzo Paulatto" <Lorenzo.Paulatto at impmc.upmc.fr>
> 发送时间: 2012年4月4日 星期三
> 收件人: pw_forum at pwscf.org
> 抄送: 
> 主题: Re: [Pw_forum] How to plot the potential curve during pseudopotential generation?
> 
> I'm not 100% sure I understaood what you need, but if it is the pseudized  
> local potential, it will be stored in file_screen if you set it.
> 
> The file contains 5 columns:
> #   n, r(n),       aeloc(n),   psloc(n),   pscharge(n)
> 
> bests
> 
> 
> 
> On Wed, 04 Apr 2012 12:58:36 +0200, 陶鹏 <ptao10b at imr.ac.cn> wrote:
> 
> > Dear all,
> >
> > When I am using the ld1.x to generate a pseudopotential, I want to plot  
> > the potential curve (pseudo V-r curve) to see how it fitting the  
> > all-electron case. However, I cannot find any file containing such  
> > potential. And could you guide me how to find it? Thank you very much！
> >
> > Warmest regards,
> >
> > Plato Tao
> >
> >
> >
> > --
> > -------------------------------------------------------------------
> > 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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> 
> -- 
> Lorenzo Paulatto IdR @ IMPMC/CNRS & Université Paris 6
> phone: +33 (0)1 44275 084 / skype: paulatz
> www:   http://www-int.impmc.upmc.fr/~paulatto/
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--
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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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