[Pw_forum] total magnetization and absolute magnetization

Elham e.chemistry83 at gmail.com
Tue Jun 16 13:52:18 CEST 2015

Dear  Rebaza
Thanks so much

I don't any expect amount of total  magnetization but I changed
starting magnetization and allof them tot =0 and absolute=0.75 except one

I don't Know why this happened?

Thanks a lot

Best Regards

On Thu, Jun 11, 2015 at 2:49 PM, Elham <e.chemistry83 at gmail.com> wrote:

> Dear Rebaza
> Thanks so much
> I changed the smearing tag to "mv" or "mp" and didn't see changed result
> and so I use  "smearing tag= fd"  job not converged.
>  yes my system is metal I increase degauss to 0.005 result don't changed
> in addition (-TS) is increased.
> I change starting magnetization for atoms in input for all atoms and
> obtain different total magnetization and absolute magnetization.
> which of them is true?I confuse in the spin polarized calculation
>  total magnetization=0 and  absolute magnetization=1.44
> This is false ?
> I attach files.
> Thanks so much
> Best Regards
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