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-boun...@zeus.theochem.tuwien.ac.at> on behalf of Leandro Salemi <leandro.sal...@physics.uu.se> Reply-To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> Date: Friday, April 6, 2018 at 8:35 AM To: A Mailing list for WIEN2k users <wien@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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