Dear Sakhroui, > Is there a way to get the magnetic moment > of each atom in the input cell??
Bearing in mind that partitioning charge among atoms is arbitrary, the code projwfc.x will do that job by projecting the charge on atomic wavefunctions. Then, mu=rho_up-rho_dw where rho is the charge on the atomic wavefunctions of each atom. Guido PS having a spell-checker installed could be a good idea ;-) -- Guido Fratesi Dipartimento di Scienza dei Materiali Universita` degli Studi di Milano-Bicocca via Cozzi 53, 20125 Milano, Italy
