[Pw_forum] RE : starting_magnetization

[BARRETEAU Cyrille]

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

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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 Paolo Giannozzi [giannozz at democritos.it]
Date d'envoi : vendredi 28 septembre 2012 18:23
À : 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


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