[Wannier] Queries regarding the direction and magnitude of the orbital magnetization computed in wannier90

[Sayantika Bhowal]

Hi,

I want to compute the orbital magnetic moment at certain kpoints in the
Brillouin zone using Quantum Espresso-Wannier90 interface. What I have
understood from http://www.wannier.org/ford/sourcefile/berry.f90.html is
that the quantity M_orb(k) (eg., in the kslice calculation) has to be
multiplied by (-e/2hbar) if I want to compute the orbital moment at that k
point. Is this correct?

Also while reproducing the example 19, I found that the net orbital
magnetization of Fe has a positive value if the starting magnetization is
set at (00-1). Does that mean the spin and orbital moments are
anti-parallel or there is a different sign convention. I am asking this
because Ref. 17 of the user-guide reports that the spin and orbital moments
are parallel.
I may be missing something. Any comment or suggestion in this regard will
be helpful for me to understand.
Thanks,

Sayantika Bhowal
Post Doctoral Research Associate
University of Missouri, Columbia, USA
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