Or maybe it has been implemented only recently... indeed, just today I've found some examples of ld1 input files where semicore states have the same L as valence states. Check the ps_library input files (see http://qe-forge.org/projects/pslibrary/)...
GS Inizio messaggio inoltrato: > Da: Gabriele Sclauzero <gabriele.sclauzero at epfl.ch> > Data: 09 febbraio 2012 10.54.08 GMT+01.00 > A: German Samolyuk <samolyuk at gmail.com> > Oggetto: Re: [Pw_forum] Uranium pseudopotenial > > Dear German, > >> How I can add 6s state in the basis of Uranum pseudopotential? >> I could not find any example for two channels with the same L and >> different principal number, > > that's simply because this possibility is not implemented in ld1.x. > Maybe other codes can do this, you could try to search on the forum archives > for some related information, I remember that there were discussions about > that in the past. > > > HTH > > > GS > > > ? Gabriele Sclauzero, EPFL SB ITP CSEA > PH H2 462, Station 3, CH-1015 Lausanne > > > > > > > ? 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/20120209/79d3a2e1/attachment.htm
