Thanks a lot :)
On Thu, Oct 24, 2013 at 1:18 PM, Nicola Marzari <nicola.marzari at epfl.ch>wrote: > > > Dear Mitul, > > very easy - you should use the pslibrary: > http://qe-forge.org/gf/project/pslibrary/ , > or, in alternative (maybe a bit softer) the GBRV library: > http://www.physics.rutgers.edu/gbrv/ > > Compiled pseudos for the 0.3.0 pslibrary can be found here: > http://theossrv1.epfl.ch/Main/Links > We'll update it in the next few days to 0.3.1 . > > nicola > > > On 24/10/2013 09:35, Mitul Mundra wrote: > > Hello, > > > > I am a beginner in DFT calculations and I am studying Li diffusion in > > Si. I am confused at the moment about which pseudopotential should I > > use. Can someone suggest some pseudopotentials for Si and Li which I can > > use for my calculations? Also, what should be the criteria in choosing a > > pseudopotential in general? > > > > Thanks > > Mitul Mundra > > Final year dual degree student > > Department of Chemical Engineering > > IIT Kanpur > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://pwscf.org/mailman/listinfo/pw_forum > > > > > -- > > ---------------------------------------------------------------------- > Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131024/b030f374/attachment.html
