On Tue, 2013-05-07 at 19:28 -0400, Vic Bermudez wrote: > starting_magnetization=0.17
should be starting_magnetization(1)=0.17 and should not be needed if option > occupations='from_input' is present. In general: either you set the occupations or the total magnetization, or you set them free and give a starting magnetization to break the symmetry P/ -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
