Hello. I am computing pdos of AFM Ce2O3, and although I obtained total magnetic moment equal to zero, the pdos up is different from pdos down. Does anyone have any idea why this happens?
I really appreciate any help. Best, Juliana Morbec Postdoc University of Chicago
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum