How to get the output magnetic moment of a static vasp calculation?

[jyang2009]

Dear all,

I would like to check the output magnetic moment of a static vasp calculation in pyiron. I've tried two methods:

1. job.get_magnetic_moments() doesn't return anything
2. job['output/structure/spins'] gives the values as set in MAGMOM, not the output values.

Does anyone know how to do this? Thanks in advance.

Best,
Jing

[samwaseda]

I took a look at it and indeed it doesn't seem to be available. I'll try to take care of it.

[samwaseda]

I started looking into it, but I don't really understand where to find the magnetic moments in VASP output files. Maybe @ligerzero-ai ? Or maybe there's something like a pymatgen parser??

[jyang2009]

Hi Sam,

Thanks a lot for looking into this. I've figured it out.
It appears that vasp only print out magnetic moments for individual atoms when LORBIT = 11 is specified. Then both methods work for reading the output.

Best,
Jing