Hello, a simple question, but I want to be sure about that: when running a wavefunction optimization for a metal at zero K, should the result be the same with (1) occupations smearing & practically-zero degauss and with (2) occupations fixed?
(I understand that using of smearing improves speed of the convergence, but that is not the question.) Thanks, Jiri Houska Ecole Polytechnique de Montreal