Look at the all-electron wavefunctions and eigenvalues produced by the atomic code.
HTH GS Il giorno 28/apr/2011, alle ore 21.01, Tram Bui ha scritto: > Hi Everyone, > The Cs has electron configuartion of [Xe] 6s1. So would you give me some > information on how to determine if the semicore state need to be included in > the valence? > > Regard, > > Tram Bui > > M.S. Materials Science & Engineering > trambui at u.boisestate.edu > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110502/83c86b13/attachment.htm
