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

GAO Zhe flux_ray12 at 163.com
Wed Apr 4 13:27:33 CEST 2012


The one you need may be in the name of ld1ps.wfc, you can draw it by gnuplot or xmgrace.


--
GAO Zhe
CMC Lab, Materials Science & Engineering Department,
Seoul National University, South Korea
 



At 2012-04-04 18:58:36,"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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