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VASP reference for calculating magnetic moments

Posted: Wed Aug 30, 2023 8:58 pm
by vahid_askarpour
Dear VASP Community,

In the VASP manual, it says:

If LORBMOM=.TRUE. is set VASP will use the projectors of the PAW potentials to calculate the orbital moment within the PAW spheres, and write them to the OUTCAR file.

Has this method of calculating magnetic moments in VASP been detailed in any VASP-related literature?

Thanks,
Vahid

Re: VASP reference for calculating magnetic moments

Posted: Fri Sep 01, 2023 2:10 pm
by ferenc_karsai
You could look into following papers:
O. Bengone, M. Alouani, P. Blöchl, and J. Hugel, Phys. Rev. B 62, 16392 (2000)
and
A. Rohrbach, J. Hafner, and G. Kresse J. Phys.: Condens. Matter 15, 979 (2003).

If the answer is not in one of those papers than it was most likely never published.