[Pw_forum] How to create a new pseudo potential with virtual.x?
Yue-Wen Fang
yuewen.fang at gmail.com
Sun Aug 5 15:53:35 CEST 2012
Dear GAO and nicola ,
Your advice is very useful. I have download the phd thesis by following
your instructions. It's very kind of you! Thank you!
Regards!
Yuewen
2012/8/4 Nicola Marzari <nicola.marzari at epfl.ch>
> On 04/08/2012 13:39, GAO Zhe wrote:
> > If you wanna use VCA to calculate the energies of alloys, I think Prof.
> > S. de Gironcoli's PRL papers and his Ph.D dissertation are the best.
>
> Agreed! Just in case, the PhD is here:
> http://library.epfl.ch/en/theses/?nr=1087
>
> nicola
>
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
> _______________________________________________
> 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/20120805/31f96293/attachment.html>
More information about the users
mailing list