[Pw_forum] Spin polarized calculation

[Duy Le]

There should be something called constrained_magnetization and
fixed_magnetization in the manual. I haven't used them so I have no
further comment.
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.

"Men don't need hand to do things"



On Mon, Sep 6, 2010 at 5:02 AM,  <nazari at iasbs.ac.ir> wrote:
> Dear All,
>
> In Vasp there is two options for doing spin polarized computations : ISPIN=2
> which is done without any restriction. And ISPIN=2 and NUPDOWAN=2 or 4. In
> the later casse  the spin polarized caculation is done with imposing
> restriction on the number of alpha and beta electrons. I wish two konw what
> are the equivalent cases for spin polarized calculation in  PWSCF ?
>
> Regards
>
> Fariba Nazari
>
> IASBS
>
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