[Pw_forum] Pw_forum Digest, Vol 95, Issue 7

Elham e.chemistry83 at gmail.com
Wed Jun 10 07:27:41 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 not changed in
addition (-TS) is increased.

 total magnetization=0 and  absolute magnetization=1.44

This is false ?

Thanks so much

Best Regards
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