[Pw_forum] Uranium pseudopotenial

[German Samolyuk]

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
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> § Gabriele Sclauzero, EPFL SB ITP CSEA
>    PH H2 462, Station 3, CH-1015 Lausanne
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