[Q-e-developers] metaGGA functional

Paolo Giannozzi giannozz at democritos.it
Mon Feb 20 19:28:40 CET 2012


On Feb 20, 2012, at 14:11 , dt378 at bath.ac.uk wrote:

> Where I can download the Xiaofei Wang to write METAGGA
> pseudo potential?

I don't think you can download Xiaofei Wang, but you can download
a copy of his code and the notes he wrote:
   http://www.fisica.uniud.it/~giannozz/public/ 
mgga_atm_code_xwang.tar.gz
   http://www.fisica.uniud.it/~giannozz/public/MGGA_pseudo_etc.pdf

> Morover, in the Atomic guide you wrote a generic "work in progress"
> concerning the hybrid functional. Does a beta version exist?

no, and there won't be any progress until somebody interested
starts to work on it. If you are interested, you are most welcome
to work on it. Would you mind introducing yourself by the way?

PG
---
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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