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how to calculate magnetic anisotropy

Posted: Fri Feb 01, 2013 9:12 pm
by chelman
Hi VASP community !

I've two magnetic materials in contact, for instance Fe and Mn. Experimentally can be observe the magnetic anisotropy with FMR technique for each ion separated.
So, when I performed the calculation with SO and calculated the magnetic anisotropy energy (MAE) as an energy difference for two different quantization directions, the MAE not discriminate atomic species ;).
Is there any way to discriminate the Fe behaviour from the Mn? :(

Thanks!!

Christian

Re: how to calculate magnetic anisotropy

Posted: Thu Sep 12, 2024 7:09 am
by support_vasp

Hi,

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