I just converted the pseudopotential of fhi of Zn and O.For O atom,I try this way: 2s 2 2p 4 3s 0 3p 0
For Xe atom, I think you can try 5s 2 5p 6 5d 0 5f 0 Best Regards Yun Song,Kang Physics Department of Inner Mongolia University P.R.China 2011/9/21 Chen, Zhifan <ZChen at cau.edu> > Hi all, > I am looking for Xe ultrasoft pseudopotential with 4d,5s,5p as > valence electrons. I can > Use ABINIT fhi pseudopotential and make conversion from fhi format to > USP. However, Xe NC pseudopotential has only 5s, 5p as valence electron. > I am new to the generate pseudopotential > . Any information is welcome. > > Thanks > > Zhifan Chen > Clark Atlanta University > USA > _______________________________________________ > 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/20110923/edd4556a/attachment.htm
