On Mon, 2014-05-05 at 12:09 +0200, Tommaso Francese wrote: > So, what i would like to ask now is this: does every hybrid functional > works with every pseudo potential used in scf?
for norm-conserving pseudopotentials, yes, but it is wise to choose pseudopotentials generated with the closest non-hybrid functional (e.g. PBE for PBE0, BLYP for B3LYP). Hybrid functionals for ultrasoft pseudopotentials and PAW are still at an experimental stage P. > I mean, does every hybrid functional correctly forces the run with every type > of pseudo potential? > Thanks in advance, > Tommaso Francese > Universit? C? Foscari di Venezia. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
