[ase-users] 'magmoms' perpendicular to c-axis

[Bernstein, Noam CIV USN NRL (6393) Washington DC (USA)]

On Apr 19, 2021, at 1:11 PM, Uma Mahendra Kumar K via ase-users <ase-users at listserv.fysik.dtu.dk<mailto:ase-users at listserv.fysik.dtu.dk>> wrote:

Dear ASE users

Is there any possibility to define initial 'magmoms' perpendicular to c-axis?

If you set initial_magmoms to be a list of 3-vectors (Nx3), they can point wherever you want (but you're assuming that the calculator you're using knows how to do use that info) .  Note, however, that it's not geometrically well defined to be perpendicular to an axis, only to a plane.
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