forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- 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
- Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=beta; h=received:message-id:date:from:to:subject:in-reply-to:mime-version:content-type:content-transfer-encoding:content-disposition:references; b=MCJUgyuwVf0Eyb3m477bG3lCFTFqtXahe97+jcgQk0d320GrM3wBoV8zuqMunamWUaOQjQIM7iZPka+lAXQSLT9xig2CGP9X+8aczr8ZSnvGcJynQepCuYGYx0515zWFW97inXHahz1tke4sPnjZiAdFSYat3sngLUJFoooOyr8=
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
- magnetic moment, ghada ameereh, 08/20/2007
- Re: [abinit-forum] magnetic moment, Anglade Pierre-Matthieu, 08/20/2007
- Re: [abinit-forum] magnetic moment, ghada ameereh, 08/20/2007
- Re: [abinit-forum] magnetic moment, Anglade Pierre-Matthieu, 08/20/2007
- Re: [abinit-forum] magnetic moment, ghada ameereh, 08/21/2007
- Re: [abinit-forum] magnetic moment, Anglade Pierre-Matthieu, 08/21/2007
- Re: [abinit-forum] magnetic moment, ghada ameereh, 08/22/2007
- Re: [abinit-forum] magnetic moment, Anglade Pierre-Matthieu, 08/21/2007
- Re: [abinit-forum] magnetic moment, ghada ameereh, 08/21/2007
- Re: [abinit-forum] magnetic moment, Anglade Pierre-Matthieu, 08/20/2007
- Re: [abinit-forum] magnetic moment, ghada ameereh, 08/20/2007
- Re: [abinit-forum] magnetic moment, Anglade Pierre-Matthieu, 08/20/2007
Archive powered by MHonArc 2.6.16.