[Pw_forum] Doubt in input file
padmaja_patnaik at yahoo.co.uk
Tue Aug 2 19:47:33 CEST 2011
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?
With thanks and regards
Dept of Physics
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