[Pw_forum] non collinear magnetism

Cyrille Barreteau cbarreteau at cea.fr
Thu Jun 3 09:26:01 CEST 2004


dear pwscf users,

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

There is surely a point that I am missing. Maybe the code is doing
a spin wave calculation with a given wave length and uses the generalized
Bloch theorem...


thanks in advance

     cyrille






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