Dear Gabriele, Thank you.
The Fe.pbe-spn-rrkjus.in is what I'm looking for. German On Thu, Feb 9, 2012 at 10:21 AM, Gabriele Sclauzero <gabriele.sclauzero at epfl.ch> wrote: > > 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 > > > > > > >
