On Jul 18, 2012, at 8:29 , Abolore Musari wrote: > Sir I want to ask that when calculating the band structure for a > diamagnetic system for example FeS2. Is it necessary to include a > 'starting_magnetization="$value"
if you have the self-consistent charge density and you want to calculate bands, you do not need to specify anything for "starting_magnetization": it will be ignored anyway P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
