On Wed, 2012-07-18 at 16:41 +0100, Abolore Musari wrote: > shld l also include starting_magnetization in it for fe atom > in the system namelist for fes2 diamagnetic semiconductor.
for diamagnnetic semiconductors, it is sufficient to perform a calculation without spin polarization P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
