[Pw_forum] B3LYP

[Paolo Giannozzi]

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
slow...

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