[Pw_forum] non collinear magnetism
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
More information about the users