Bryan M. Wong wrote: > when I do a vc-relax with starting_magnetization set to any > value, the 2nd step in the cell relaxation always reverts > to the spin-unpolarized case
what was the magnetization at the end of the first step? if it was zero, this is the expected behavior. This is why, by the way, a final step with nonzero starting polarization is performed at the end of a structural optimization if the spin polarization is zero. P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
