[Pw_forum] total magnetization and absolute magnetization

Elham e.chemistry83 at gmail.com
Thu Jun 11 12:19:51 CEST 2015


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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