[Pw_forum] RE : magnetic moment

[BARRETEAU Cyrille]

Excuse me, but could you be more specific and "intelligible" .
What is exactly your problem?

   cyrille


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Cyrille Barreteau                                 phone :      +33 (0)1 69 08 29 51
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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
À : 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

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Sakhraoui Taoufik
Ph.D student
Faculty of Sciences of Monastir
Department of Physics
L.M.C.N
Monastir, Tunisia

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