[Pw_forum] Fwd: Uranium pseudopotenial

[Gabriele Sclauzero]

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







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