[Pw_forum] upf for siesta pseudopotentials

Eyvaz Isaev eyvaz_isaev at yahoo.com
Mon May 5 19:30:48 CEST 2003

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

Sorry, if I am wrong.

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
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