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. > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > __________________________________________________ > Do You Yahoo!? > Tired of spam? Yahoo! Mail has the best spam protection around > http://mail.yahoo.com > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ======================================================================= 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 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
