[Wien] Magnetization axis, SOC, and rotation

[Zhu, Jianxin]

Dear Leandro and Peter,

Thanks for bringing this question up.
Do I understand correctly that the direction like (001) in initso_lapw is defined with respect to the Cartesian coordinate?
As such, when we say (001),  it really means the magnetic moment axis is along the z-axis, rather than the primitive  Bravais vectors or conventional unit cell vectors.

Thanks,

Jianxin


From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Leandro Salemi <leandro.salemi at physics.uu.se>
Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Date: Friday, April 6, 2018 at 8:35 AM
To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Subject: Re: [Wien] Magnetization axis, SOC, and rotation




Dear Professor Blaha,



Thank you very much for your answer.

I've looked and those angles are given in the case.scfso (2nd line) !



Best regards,



Leandro





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