[Wannier] Queries regarding gyrotropic module

[Sayantika Bhowal]

Hi All,

I am using the gyrotropic module in wannier90 to compute the response K of
the kinetic magnetoelectric effect. I have the following questions:

(1) For 2D material, the orbital moment is expected to be along the
z-direction, so it is expected that components such as Kxy would be zero.
But in the calculation, I find that it has some small but non-zero value.
Is it due to the fact that the materials are not strictly 2D (but
quasi-2D)? Is it possible to avoid this problem with a suitable choice of
gyrotropic_box? Sorry if I am missing something trivial.

(2) For the spin part, I just want to be sure if case-gyrotropic-K_spin.dat
file contains only the spin contribution (not the spin+orb contribution) to
K when the berry_task = -spin. Is this correct? Also, why the spin part
appears with a -ve sign?
Any comments or suggestions would be helpful.
Thank you in advance,

Sincerely,
Sayantika  Bhowal
-- 
Postdoctoral Fellow
Department Physics and Astronomy
University of Missouri
223 Physics Building, Columbia, MO-65211,USA
Email: sayantika.bhowal31j at gmail.com, bhowals at missouri.edu
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