Excuse me, but could you be more specific and "intelligible" . What is exactly your problem?
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<mailto: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 Sakhrawi Taoufek [tsakhrawi at yahoo.com] Date d'envoi : jeudi 11 octobre 2012 11:24 ? : PWSCF Forum Objet : [Pw_forum] magnetic moment Dear all, I try to do a calculation of antiferromagnetic FeRh, by changing different parameters (point_k, smearing, ECUT ...), i can find the expected value of the total magnetic moment wich is not the case for the magnetic moment of each atom. Is there a way to get the magnetic moment of each atom in the input cell?? thinks ------------------------------------------------------------------------------------------------------------------- Sakhraoui Taoufik Ph.D student Faculty of Sciences of Monastir Department of Physics L.M.C.N Monastir, Tunisia ------------------------------------------------------------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20121011/d93729c6/attachment.html
