On Mon, 2014-09-01 at 21:47 +0200, Vincenzo Verdolino wrote > As I understand this should not be a metal and you should not > encounter troubles integrating around the Fermi level. So I would not > specify smearing and degauss
in spin-polarized systems, either you fix the magnetization, or you have to use broadening. In case of trouble with convergence, adding a small broadening is invariably the first thing to try. Removing it doesn't look to me such a great idea. P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
