[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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