[Pw_forum] upf for siesta pseudopotentials
antonief
francesco.antoniella at aquila.infn.it
Tue May 6 14:33:56 CEST 2003
On Mon, 5 May 2003, Eyvaz Isaev wrote:
> 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.
This appears like a non-problem, try to use starting_wfc='random'.
Hi all , Francesco
>
> 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
> >
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