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Dear Experts,

I have one 2d sysytem with 96 atoms in the supercell and I perfromed the relaxation with 551 k-mesh using GGA and I obtined a magnetic moent of 2 mub. For the same system when I performed the relaxation with SOC, magnetic moment becomes half (i.e., 1mub).
I am not getting why with SOC magnetic moment becomes half. If you could please suggest me about it I'll be very thankful.

Thanks.

Hello!

I am not aware of any obvious reason why you would get only half of the magnetic moment in an SOC calculation. To be able to give any further advice, please first provide your input and output files according to the forum posting guidelines. Thank you!

Best,
Andreas Singraber