[Pw_forum] Pseudopotentials

Layla Martin-Samos lmartinsamos at gmail.com
Wed Feb 8 11:27:14 CET 2012


Dear Henry, if with "hybrid" you mean with a fraction of exact exchange.
There are no pseudos with EXX fraction. I saw some calcuations made with
pseudo potentials built with OEP approximation, simil Hartree-Fock. If you
think that with exx the semicore could play a role, you need to include the
semicore in your calculations.

bests

Layla

2012/2/8 henry odhiambo <henod2001 at yahoo.com>

> Hello everyone,
>
> Kindly,  could someone, please, share with me GGA and Hybrid
> pseudopotentials and Green's functions for Te, Sb and Ge. I would highly
> appreciate.
>
> Regards,
> Henry O. Otunga
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120208/53d77ec3/attachment.html>


More information about the users mailing list