[Pw_forum] Doubt in input file
gabriele.sclauzero at epfl.ch
Wed Aug 3 10:26:52 CEST 2011
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.
> 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
Dept of Physics
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> Pw_forum at pwscf.org
§ Gabriele Sclauzero, EPFL SB ITP CSEA
PH H2 462, Station 3, CH-1015 Lausanne
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