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Dear Colleagues,

I am calculating magnetic metal oxide slabs.

I've read the vasp manual and learned how to optimize AMIX and BMIX by grep "average eigenvalues" OUTCAR.

I am wondering if there is general approaches like this for AMIX_MAG and BMIX_MAG?

Thanks,
Johnny

there is no general approach to find the optimum for the magnetic mixing parameters. You can however proceed as for the standard values and choose a spin enhancement factor of 4 as compared to the charge density mixing parameters. If this is still too large, the spin dnesity mixing parameters have to be reduced even further.

Thank you, administrator!