[Pw_forum] Hybrid functional pressure

Paolo Giannozzi giannozz at democritos.it
Wed Dec 14 19:35:53 CET 2011


On Dec 14, 2011, at 18:34 , Azadi, Sam wrote:

> As it's written in README file of EXX_examples directory,
> corresponding formula of stress calculation using hybrid
> functionals have not yet been coded in quantum espresso.

I am quite sure they have. The README should be updated

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







More information about the users mailing list