thank you i think you are right i should read more... but for the immediate i need to choose one of them and i do not know if they preform similarly or not. Maybe you can help me on this point... anna
> > > ------------------ Messaggio originale ------------------- > Oggetto: Re: [Pw_forum] (no subject) > Da: "Hande Ustunel" > <hande at newton.physics.metu.edu.tr> > Data: Ven, 29 Agosto 2008, 3:38 pm > A: "PWSCF Forum" <pw_forum at pwscf.org> > ---------------------------------------------------------- > > Dear Anna, > > Different occupations signify that the reference > configurations with > respect to which the pseudopotentials were generated were > taken > differently. If you would like to know more about what > this means I suggest > you read the documentation that comes with the generation > code. > > The other difference is that the one that's called nsp has > nonlinear core > corrections while the other one doesn't. > > Best, > Hande > > -- > Hande Toffoli > Department of Physics > Office 439 > Middle East Technical University > Ankara 06531, Turkey > Tel : +90 312 210 3264 > http://www.physics.metu.edu.tr/~hande > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > >
