[Wien] contradictory band gap in case.scf and band.agr

[Dr. K. C. Bhamu]

> 2. You had too small a k-mesh for the scf, the fine one for the bands
> shows a metal.
>

I was working to help a student. I assumed that She has optimized the
structure well.
I just finished a case starting from optimization. With a finer k-mesh
(25x25x25), band gap in case.scf and case.bands.agr are same.
Thanks for your detailed response.


Regards
Bhamu
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