[Pw_forum] Doubt in input file

[Gabriele Sclauzero]

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

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







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