[Pw_forum] Doubt in input file

Gabriele Sclauzero 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.
I did

> With thanks and regards
You're welcome

Padmaja Patnaik
Research Scholar
Dept of Physics
IIT Bombay
Mumbai, India

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§ Gabriele Sclauzero, EPFL SB ITP CSEA
   PH H2 462, Station 3, CH-1015 Lausanne

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