Dear QE developers and users, I am calculating a metallic-like system with gaussian smearing and want to estimate the band gap. Now I've faced the problem that my highest formally occupied band is in fact not uniformly occupied. It is occupied in its minimums on my plot but in the maximum (which is the formal place of band gap) the occupation number is 0.0. What would be the most scientifically grounded way to calculate the band gap in my case?
Sincerely, Yura Vishnevskiy Uni-Bielefeld, Germany
