[Wien] TBMBJ calculation for FeO

Subrata Jana subrata.jana at niser.ac.in
Wed Feb 22 15:30:25 CET 2017


Dear Professor,
I wan to calculate band gap using TBMBJ functional. But unfortunately after
running PBE the case.scf2 shows band gap -9999 and metallic. After that
when i am running TBMBJ is has also same problem. How to calculate FeO band
gap using TBMBJ?

with regards,
Subrata Jana
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