[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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