[Pw_forum] question
Seyed Javad Hashemifar
hashemifar at cc.iut.ac.ir
Wed Jan 30 22:17:16 CET 2013
If you select nspin=2 along with some starting magnetization, it means that
you are doing LSDA calculations. Usually the final spin polarized results
in ferromagnetic systems are not sensitive to the initial magnetization.
Hence I would say set your starting magnetization to numbers between 0.5
and 0.8.
Regards
S. Javad Hashemifar
======================================
Seyed Javad Hashemifar
Department of Physics, Isfahan University of Technology
84156-83111 Isfahan, Iran
Tel: +98 311 391 2375 Fax:+98 311 3912376
Email: hashemifar at cc.iut.ac.ir
Group Homepage: http://cmsgroup.iut.ac.ir
Personal Homepage: http://hashemifar.iut.ac.ir
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On Wed, Jan 30, 2013 at 8:42 PM, Banafshe Noori <b_noori88 at yahoo.com> wrote:
> Dear all
>
> I am working with LDA approximation.i want to examine property of espin. do
> i have to use with LSDA in input file or LDA with (nspin=2 and
> start_magnetization)?
>
> how much i can use for start_magnetization of metals in input file?
>
>
> thanks.
>
>
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