Dear all how can I plot these pseudo potentials? how can I discribe the properties of pseudo potentials?
*Fe.pbe-nd-rrkjus.UPF*<http://www.pwscf.org/pseudo/1.3/UPF/Fe.pbe-nd-rrkjus.UPF> ( *details*<http://www.pwscf.org/pseudo/upfdetails.php?upf=Fe.pbe-nd-rrkjus.UPF>) Perdew-Burke-Ernzerhof (PBE) exch-corr nonlinear core-correction semicore state d in valence Rabe Rappe Kaxiras Joannopoulos (ultrasoft) and *H.pbe-rrkjus.UPF* <http://www.pwscf.org/pseudo/1.3/UPF/H.pbe-rrkjus.UPF> (*details* <http://www.pwscf.org/pseudo/upfdetails.php?upf=H.pbe-rrkjus.UPF>) Perdew-Burke-Ernzerhof (PBE) exch-corr Rabe Rappe Kaxiras Joannopoulos (ultrasoft) and *O.pbe-rrkjus.UPF* <http://www.pwscf.org/pseudo/1.3/UPF/O.pbe-rrkjus.UPF> (*details* <http://www.pwscf.org/pseudo/upfdetails.php?upf=O.pbe-rrkjus.UPF>) Perdew-Burke-Ernzerhof (PBE) exch-corr Rabe Rappe Kaxiras Joannopoulos (ultrasoft) Thanks Mansoureh Pashangpour Ph.D student Islami Azad university science & reaserch branch Tehran, IRAN -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090906/3efcd6f0/attachment.htm
