The ABINIT Users Mailing List ( CLOSED )

[Gilles Zerah <gilles.zerah@cea.fr>]

Dear Xinjie Wang,

I understand that you want to rotate the magnetization but keep the 
magnetization along a constant axis,
which can have a large number of symmetries for certain directions of 
the magnetization.
As for now, Abinit does not take this into account and does not 
determine the magnetic group.
For magnetizations along <100> and <111> etc it may be possible to do 
this by hand and
impose explicitly the symmetries.

Have Fun ;-) ,

Gilles Zerah

> Dear, all
>
> I am doing non-collinear magnetism calculation of BCC Fe with 
> spin-orbit coupling (nspden=4, spinor=2).
> Abinit requires turnning off all symmetries. The computational time 
> increases by 48 times!  I am wondering
> if Abinit can identify the magnetic space group and if there is a way 
> to retain the symmetries in non-collinear
> magnetism calculation. Many thanks in advance!
>
> Best,
> Xinjie