[Wien] MBJ fails to produce gap unto 0.6 for VO2 M1 phase

Tue May 12 03:09:40 CEST 2020

Dear Experts,
                     I am doing some calculations for VO2 M1 phase. To get
the correct band gap value, I applied MBJ. But, I am getting zero gap. To
get the gap, I increased the c value. with such large c value, there is no
sign of convergence of my calculation.

I appreciate if experts have any comments and suggestions.

Regards
Wasim
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