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

[Lorenzo Paulatto]

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
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