Hi All While doing fully relativistic calculations one has to? mention "noncolin= .TRUE., lspinorb= .TRUE.," in the scf input. If then I proceed to do nscf? calculations for DOS then should I mention these to variables again in the input? Please suggest.
With thanks and regards Padmaja Patnaik Research Scholar Dept of Physics IIT Bombay Mumbai, India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110802/9e9764de/attachment.htm
