[Wannier] Orientation of spin and orbital magnetic moment
Malte Sachs
malte.sachs at chemie.uni-marburg.de
Sat Jan 27 14:41:31 CET 2018
Dear all,
I am performing orbital magnetization calculations with Wannier90 and
Quantum Espresso. However, I am a bit confused how the spin magnetic
moment and to the orbital magnetic moment are oriented with respect to
the cartesian axis. In the wannier90 example 17 I found this note:
"Please note the following counterintiutive feature in pwscf: in order
to obtain a ground state with magnetization along the positive z-axis,
one should use a negative value for the variable starting_magnetization."
Just to be sure: I have a total spin magnetization of [0 0 1] from
pwscf and a orbital magnetization from wannier90 of [0 0 1]. Does this
mean the two moments are alligned antiparallel?
Best regards,
Malte Sachs
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