[Pw_forum] hybrid preprocessig

[Paolo Giannozzi]

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
> Università Cà Foscari di Venezia.
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222