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Re: [abinit-forum] magnetic moment


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  • From: "Anglade Pierre-Matthieu" <anglade@gmail.com>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] magnetic moment
  • Date: Mon, 20 Aug 2007 19:29:26 +0200
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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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