Hi All, I am using Quantum Espresso-Wannier90 interface to compute the orbital magnetization. I have some confusions regarding the magnitude and direction of the of the calculated orbital magnetization. It looks like to convert the orbital magnetization from eV-A^2 to the a.u., the summand is divided by (27.2*0.529^2) (http://www.wannier.org/ford/sourcefile/berry.f90.html). I have the confusion regarding the factor 27.2, should not it be 13.6? Why is there a factor of 1/2?
Also, in the example 19, the orbital magnetization of Fe has a positive value if the starting magnetization is set at -1. Does that mean positive value of mz corresponds to the orbital moment along the -z direction? Is that also true for the x and y components of orbital magnetization i.e., a +ve value implies a moment along -x or -y direction. Any comment or suggestion will be helpful. Thanks, Sayantika Bhowal Post Doctoral Research Associate University of Missouri, Columbia, USA
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