[Pw_forum] Pseudopotential generation

Álvaro Alves asafis at yahoo.com.br
Mon Apr 13 18:53:57 CEST 2009


Hello everyone. I need pseudopotencial of cobalt with spin-orbit. I'm
trying to create it using the ld1.x of PWscf. For the all-electron calculation l used the electron configuration [Ar] 3d10 4s2. What´s the configuration should I use to generate the pseudopotencial, since the calculation that needs to have the cobalt ion Co (II)?

                                             Sincerely, Alvaro



      Veja quais são os assuntos do momento no Yahoo! +Buscados
http://br.maisbuscados.yahoo.com
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20090413/802fe0ac/attachment.html>


More information about the users mailing list