[Pw_forum] upf for siesta pseudopotentials
eyvaz_isaev at yahoo.com
Mon May 5 19:30:48 CEST 2003
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
Sorry, if I am wrong.
Theoretical Physics Department
Moscow Steel and Alloys Institute
--- Kurt Stokbro <ks at mic.dtu.dk> wrote:
> I would like to read siesta pseudopotentials with
> Has anybody made a converter to upf?
> The siesta pseudopotentials do not have info on the
> pseudowavefunctions. I tried to remove pseudo wave
> in the upf format and got an cdiaghg error. Can
> pwscf run without information about the
> Pw_forum mailing list
> Pw_forum at pwscf.org
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