> 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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