How to set the intrinsic magnetic moment of each projected Atom in the ATOM_POSITIONS?

quanshengwu / wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation:

http://www.wanniertools.org

GNU General Public License v3.0

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How to set the intrinsic magnetic moment of each projected Atom in the ATOM_POSITIONS? #75

Closed QuantumInformationGeneral closed 3 years ago

QuantumInformationGeneral commented 3 years ago

I am studying the magnetic topological materials. How could I set the intrinsic magnetic moment of each projected atom for wannier_tools calculation? From the output file, it seems like I could set the moment tag in the ATOM_POSITIONS. However, I could not find any tutorial/explanation.

QuantumInformationGeneral commented 3 years ago

Figured it out how to do from the code.

hetian-chen commented 2 years ago

@QuantumInformationGeneral May I know how to set magnetic moment?

shahid-sattar commented 6 months ago

@QuantumInformationGeneral @hetian-chen have you been able to figure out how to deal with AFM TI in wanniertools? Do we need to specify magnetic moments of Mn atoms in wt.in file?