[Pw_forum] B3LYP

Paolo Giannozzi giannozz at democritos.it
Thu Jun 24 10:15:16 CEST 2010

On Jun 23, 2010, at 21:12 , Vi Vo wrote:

> > [...] hybrid functionals are not still straightforwardly  
> implemented in QE...

actually the implementation of hybrid functionals *is* straightforward.
The problem is that this "straigthforward" implementation is quite

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

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