[Pw_forum] PAW pseudos

[Axel Kohlmeyer]

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.

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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-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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