Queries about input and output files, running specific calculations, etc.
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chelman
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#1
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by chelman » Fri Feb 01, 2013 9:12 pm
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
Last edited by
chelman on Fri Feb 01, 2013 9:12 pm, edited 1 time in total.
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support_vasp
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#2
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by support_vasp » Thu Sep 12, 2024 7:09 am
Hi,
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