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