Dear Users Greetings,
I am trying to compute the band structure of some ABX3 perovskites systems with Wien2k_19.2 compiled with intel compilers. When I grep the band gap from case.scf, I am getting some values (~0.7eV) while when I plot the band structure, the VBM is significantly crossing the Fermi level and the gap between CBM and VBM is much lesser than the one I grepped from case.scf file. In some case, VBM and VBM are overlapping while case.scf file is showing a clear band gap. I have updated Fermi energy in case.insp files. I never faced such an issue in the past. I am wondering if you would like to help me out. Regards Bhamu
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