[Q-e-developers] PBE0 Pseudo potential

Layla Martin-Samos lmartinsamos at gmail.com
Fri Aug 17 21:03:37 CEST 2012


Dear Saeedeh, they do not exist! use blyp or pbe pseudo. If the valence is
well disentangled with respect to the semicore you should not see any
significant difference with respect to all-electron calculations (at least
the gap)

best regards

Layla

2012/8/16 Saeedeh S Ravandi <sxr109320 at utdallas.edu>

> Dear Sir/Madam
>
> would you please help me to find Hybrid functions Pseudos ? I have looked
> but it wasnot clear for me, I want succeed to find them.
>
> Thanks
>
> --
> Best Regards,
> Saeedeh Ravandi
> _______________________________________________
> Q-e-developers mailing list
> Q-e-developers at qe-forge.org
> http://qe-forge.org/mailman/listinfo/q-e-developers
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20120817/0c745456/attachment.html>


More information about the developers mailing list