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Magnetic moments are zero in OSZICAR

Posted: Fri Oct 06, 2023 5:26 pm
by vahid_askarpour
Dear VASP community,

I am running constrained magnetization by slowly increasing LAMBDA from 0.5 to 100 or more. For each run, I use the CHGCAR of the previous run (with lower LAMBDA). However, the moments are zero in the OSZICAR and E_p does not decrease. I have attached the files. Does anyone know what might be the problem?

Thank you,
Vahid

Re: Magnetic moments are zero in OSZICAR

Posted: Fri Oct 06, 2023 6:54 pm
by vahid_askarpour
I just realized that for constrained magnetization, RWIGS are not read from the POTCAR and need to be explicitly stated in INCAR. That is why in the OUTCAR, RWIGS=-1.

Now I do have nonzero moments in the OSZICAR.

Cheers,
Vahid