[Pw_forum] combining vdW-DF and hybrids?
giannozz at democritos.it
Sat Feb 12 16:46:04 CET 2011
On Feb 12, 2011, at 13:46 , CONESA CEGARRA, JOSE CARLOS wrote:
> a) is there work for allowing soon the use of hybrid functionals
> with USPP or PAW potentials?
it is on the list of things that it would be nice to have, but it is
unlikely that it will be available "soon"
> b) will the vdW-DF2 functional be available (with both ions and
> cell relaxation, if possible) in the 4.3 version?
the 4.3 version will be more or less a snapshot of the current CVS tree
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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