The ABINIT Users Mailing List ( CLOSED )

["Anglade Pierre-Matthieu" <anglade@gmail.com>]

Again, I'm not an expert but I think that you can try to make a serie
of computation with decreasing fixmom. If the total energies decreses
with fixmom I think it would explain, partially,  why you do not get a
magnetic system at the end.
TRy for instance values like
10, 20, 40, 60, 80.



On 8/21/07, ghada ameereh <ghaddosh@yahoo.com> wrote:
> 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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-- 
Pierre-Matthieu Anglade