And sorry for another question, is it possible to visualize the potential curve of each orbit?
> -----????----- > ???: "Lorenzo Paulatto" <Lorenzo.Paulatto at impmc.upmc.fr> > ????: 2012?4?4? ??? > ???: pw_forum at pwscf.org > ??: > ??: 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, ?? <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 > > ------------------------------------------------------------------- > > > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > -- > Lorenzo Paulatto IdR @ IMPMC/CNRS & Universit? Paris 6 > phone: +33 (0)1 44275 084 / skype: paulatz > www: http://www-int.impmc.upmc.fr/~paulatto/ > mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -- ------------------------------------------------------------------- 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 -------------------------------------------------------------------
