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
