The ABINIT Users Mailing List ( CLOSED )

[ghada ameereh <ghaddosh@yahoo.com>]

Dear sir 
the default value for 'fixmom' is = -99.9.but if i
want  to change it ,what the best value for that .can
i use positive integer?
--- Anglade Pierre-Matthieu <anglade@gmail.com> wrote:

> You are right,
> My mistake. I lake experience with magnetic systems.
> 
> Have you tried to play around with "fixmom" ? May be
> that would allow
> you to determine why your magnetization collapse ?
> 
> Also are you sure of your convergence ?
> In some magnetic examples one had to use high values
> for variables like
> nnsclo, isecur, and npulayit.
> 
> And last, what do you get if you try some dumb
> values for spinat ?
> Have you also check that ?
> I'm not sure of the following but magnetic system
> usually have
> multiple metastable states. Maybe your starting
> point leads you to
> something with no magnetism but another would give a
> very different
> result ?
> 
> regards
> 
> 
> -- 
> Pierre-Matthieu Anglade
> 



       
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