[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
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