[Pw_forum] upf for siesta pseudopotentials

[Eyvaz Isaev]

Dear Kurt,

I assume, not. Because right after generating of
k-points initial potential generation is being started
and it uses atomic wfc (for initial charge density
generation).

Sorry, if I am wrong.

Regards,
Eyvaz  Isaev 
Theoretical Physics Department 
Moscow Steel and Alloys Institute 

--- Kurt Stokbro <ks at mic.dtu.dk> wrote:
> I would like to read siesta pseudopotentials with
> pwscf.
> Has anybody made a converter to upf?
> The siesta pseudopotentials do not have info on the
> pseudowavefunctions. I tried to remove pseudo wave
> functions
> in the upf format and got an cdiaghg error. Can
> pwscf run without information about the
> pseudowavefunctions?
> Kurt
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum


__________________________________
Do you Yahoo!?
The New Yahoo! Search - Faster. Easier. Bingo.
http://search.yahoo.com