They look reasonable to me ... but you can check that lattice parameter, interlayer surface relaxation, or bond length in Cu2 dimer are ok to have some feeling that the pseudopotentials are working properly.
stefano On 03/31/2011 11:26 PM, Izaak Williamson wrote: > Dear Stefano, > > I plotted the average charge and it seems reasonable to me for both the > pseudopotentials. I am attaching both plots, it would be nice to get your > input. > > Thank you. > > > > _______________________________________________ > 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://www.democritos.it/pipermail/pw_forum/attachments/20110401/1e6a6af2/attachment.htm
