Let me add that it can have an influence on the final magnetization in cases where several metastable magnetic solution coexist. Whenever you observe such dependence on the starting magnetization it is safe to do some kind of fixed spin moment calculation.
Cyrille ============================================================ Cyrille Barreteau phone : +33 (0)1 69 08 29 51 CEA Saclay cellphone: +33 (0)6 47 53 66 52 IRAMIS, SPCSI, Bat. 462 fax : +33 (0)1 69 08 84 46 91191 Gif sur Yvette Cedex email: cyrille.barreteau at cea.fr FRANCE ~~~~~~~~~~~~~~~~~~~~~~~~ Web: http://iramis.cea.fr/Pisp/cyrille.barreteau/ ============================================================== ________________________________________ De : pw_forum-bounces at pwscf.org [pw_forum-bounces at pwscf.org] de la part de Paolo Giannozzi [giannozz at democritos.it] Date d'envoi : vendredi 28 septembre 2012 18:23 ? : Sakhrawi Taoufek; PWSCF Forum Objet : Re: [Pw_forum] starting_magnetization On Fri, 2012-09-28 at 17:06 +0100, Sakhrawi Taoufek wrote: > i can't understand the relation between starting_magnetization and the > magnetic moment???? starting_magnetization is used only to break the symmetry and has no relation with the final magnetization P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
