Dear Ananya. If I remember correctly, in the ps-library distribution <http://www.qe-forge.org/gf/project/pslibrary/frs/> there is a Na US pseudopotential with s and p semicore states
you can modify the input to make it NC (the US generation is actually a 2-step process in which the NC version is generated first). It's probably going to be a hard pseudo. HTH stefano PS: please don't forget to include your affiliation in your posts. thanks - Stefano de Gironcoli SISSA and DEMOCRITOS On 08/28/2012 08:03 AM, Yue-Wen Fang wrote: > May be you can generate the pp using ld1.x and test it by yourself. But it > not very simple > > Y.-W. Fang > > > 2012/8/28 Ananya Mondal <ananyamondol3 at gmail.com> > >> Including s and p semicore states in valence. >> >> On 8/27/12, Ananya mondal <ananyamondol3 at gmail.com> wrote: >>> Dear quantum-espresso users, >>> I'm looking for a PBE type Norm-conserving Troullier Martins >>> pseudopotential pseudopotential for Sodium. >>> Thanks >>> Ananya >>> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://www.democritos.it/mailman/listinfo/pw_forum >> > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120828/04c5991b/attachment.htm
