Il giorno 02/ago/2011, alle ore 19.47, Padmaja Patnaik ha scritto: > Hi All > While doing fully relativistic calculations one has to mention "noncolin= > .TRUE., lspinorb= .TRUE.," in the scf input. > Yes
> If then I proceed to do nscf calculations for DOS then should I mention > these to variables again in the input? > Yes > Please suggest. > I did > > With thanks and regards > You're welcome Padmaja Patnaik Research Scholar Dept of Physics IIT Bombay Mumbai, India _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110803/c52f5a94/attachment.htm
