[Pw_forum] non collinear magnetism

Paolo Giannozzi giannozz at nest.sns.it
Sun Jun 6 17:40:37 CEST 2004

On Thursday 03 June 2004 09:26, Cyrille Barreteau wrote:

> I have a question concerning non-collinear magnetism and
> example 13. In the two cases fe.pen.in and fe.angl.in
> the system is made of a simple bcc iron with only one atom per
> unit cell, therefore I do not really see the meaning of
> non-collinear magnetism.
> If there is no spin-orbit all direction are equivalent and therefore
> the direction of magnetization is arbitrary. In that case I do not
> understand the meaning of imposing a spin direction...

those examples are there for testing purposes only, I think

> By the way is spin-orbit implemented in pwscf?

it will be soon; it is already available in the CVS version, at you risk


Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy

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