[Pw_forum] Questions regarding EXX implementation

Paolo Giannozzi giannozz at nest.sns.it
Wed Oct 3 22:59:51 CEST 2007


On Oct 3, 2007, at 21:00 , Tyler Grassman wrote:

> Hello all.  I have some questions regarding the hybrid functionals
> implementation in PWscf.  First of all, how "experimental" is it,  
> exactly?
> The "DO NOT USE IT FOR ANY PRODUCTION RUN" warning is
> definitely strong, but I've been doing some of my own testing with it
> (PBE0 for Ge, bulk and slab, so far), and the results look pretty good

"experimental" = "able to reproduce experimental results" :-)

P.
---
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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