[Pw_forum] spin orbit and custom occupations

[Andrea Dal Corso]

constrained_magnetization='total'

allows you to fix the magnetization vector. See example06 for more
details. 

HTH,

Andrea



On Wed, 2013-09-25 at 11:51 +0200, Julen Larrucea wrote:
> Dear colleagues,
> Does anybody know how to set precisely the occupations on a spin orbit
> calculation (lspinorb=.true.)?
> 
> I have tried to occupations='from_input' but it does not read the
> minority spin line, and constrained- and tot_magnetization do not seem
> to work either.
> 
> 
>   Thanks in advance
> 
> 
>     Julen
> -- 
> Dr. Julen Larrucea
> Postdoctoral researcher,
> BCCMS, HMI Group, University of Bremen
> Phone: +49 421 218 64582
> Fax: +49 421 218 64599
>  http://www.larrucea.eu
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-- 
Andrea Dal Corso                    Tel. 0039-040-3787428
SISSA, Via Bonomea 265              Fax. 0039-040-3787249
I-34136 Trieste (Italy)             e-mail: dalcorso at sissa.it