[Pw_forum] Mass of the atomic for relax

[Álvaro Alves]

Hi. The input file is in annex. The version is 3.2.

                 Sincerely, Álvaro

--- Paolo Giannozzi <giannozz at nest.sns.it> escreveu:

> 
> On Mar 17, 2008, at 19:28 , Álvaro Alves wrote:
> 
> > Hi. I'm trying to do a calculation with spin-orbit
> > coupling. However, in my input file always appears
> >
> > from setup : error #         1
> > gamma_only and noncolin not allowed.
> >
> > My grid is
> >
> > K_POINTS{automatic}
> > 2 1 1 0 0 0
> >
> > What can be happening?
> 
> please provide the entire input data file and
> specify which
> version exhibits such behavior
> 
> Paolo
> ---
> Paolo Giannozzi, Dept of Physics, University of
> Udine
> via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
> 
> 
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