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Spin direction in non-collinear DFT calculation
Date: 2020/11/19 12:17
Name: Hyeon-Jong Park

Dear Prof. T.Ozaki,

I'm working on spin conductivity tensor in ferromagnetic metals. The sign and magnitude of tensor components are closely related to the magnetization direction and I found in user manual that 8th and 9th columns of "<Atoms.SpeciesAndCoordinates" in a input file indicate a spin "magnetic" moment direction.


However, in the past thread (bottom link), there was the debate on the fact that 8th and 9th columns are the direction of spin "magnetic" moment or spin "angular" moment.
http://www.openmx-square.org/forum/patio.cgi?mode=view&no=2627

Thus, I want to confirm that which one is correct. (spin "magnetic" moment or spin "angular" moment)

Thank you very much for your help.


Regards,
Hyeon-Jong Park
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