Dear QE developers and users: I was computing the band gaps from scf calculations as the difference between HOMO and LUMO energies. Nonetheless, when I perform the bands' calculation and plot the band structure I notice this band gap is a lot less than the one I computed initially (with scf).
Am I doing something wrong? Or what am I exactly computing when I take the HOMO LUMO difference in the scf-calculation. Thank you very much! Caterina Cevallos, University of Costa Rica.
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