On Dec 17, 2010, at 15:06 , Silvia Bahmann wrote: > starting_magnetization(1) = 1, > starting_magnetization(2) = -1, > tot_magnetization = 0 > > This is considered as constrained magnetization which is not allowed > to use with the bands code.
the bands code should simply ignore these variables because they are never used in band structure calculations. If it complains, just remove those variables from the input of the band structure calculation P. --- Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
