VASP reference for calculating magnetic moments

Queries about input and output files, running specific calculations, etc.


Moderators: Global Moderator, Moderator

Post Reply
Message
Author
vahid_askarpour
Newbie
Newbie
Posts: 23
Joined: Tue Jan 31, 2023 3:11 pm

VASP reference for calculating magnetic moments

#1 Post by vahid_askarpour » Wed Aug 30, 2023 8:58 pm

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

ferenc_karsai
Global Moderator
Global Moderator
Posts: 460
Joined: Mon Nov 04, 2019 12:44 pm

Re: VASP reference for calculating magnetic moments

#2 Post by ferenc_karsai » Fri Sep 01, 2023 2:10 pm

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.

Post Reply