[Pw_forum] PAW pseudos

[Eyvaz Isaev]

Hi Axel,

--- Axel Kohlmeyer <akohlmey at cmm.upenn.edu> wrote:

> On 5/22/06, Eyvaz Isaev <eyvaz_isaev at yahoo.com>
> wrote:
> > Hi Dmitry,
> >
> > Did you ask George Kresse about this one? More
> > seriously, you are not allowed to do it, because
> it is
> > a commercial product.
> 
> regardless of that. please see the vanderbilt uspp
> homepage:
> http://www.physics.rutgers.edu/%7Edhv/uspp/#USER
> 
> Another well-known proprietary code that uses
> ultrasoft potentials is
> the  VASP package. However, VASP uses ultrasoft
> potentials generated
> using a somewhat different scheme from the one
> implemented here. Thus,
> pseudopotentials taken from the library distributed
> as part of VASP
> cannot be imported into the above code packages, and
> vice versa.

That is exactly I mean. The question about Kresse was
just a jock. 

Bests,
Eyvaz.


> regards,
>     axel.
> > Bests,
> > Eyvaz.
> >
> > --- Dmitry Korotin <dkorotin at gmail.com> wrote:
> >
> > > Dear all,
> > > Is it possible to convert PAW pseudopotential
> (from
> > > the VASP library)
> > > to UPF format (or use it with ESPRESSO in
> another
> > > way)?
> > >
> > > Thank you in advance,
> > > Dmitry Korotin.
> > > _______________________________________________
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> >
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> 
> -- 
>
=======================================================================
> Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu  
> http://www.cmm.upenn.edu
>   Center for Molecular Modeling   --   University of
> Pennsylvania
> Department of Chemistry, 231 S.34th Street,
> Philadelphia, PA 19104-6323
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