Hi I would like to know what is the "Ion # E_soc:" line?
how is it calculated?
is the additional spin orbit energy to the total energy calculated inside the muffin tin (in PAW pseudos)?
If i plot this E_soc energy per ion for different directions of SAXIS, Am I plotting the "atomic magnetic anisotropy"?
Thanks in advance
Christian
SO coupling energy
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chelman
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SO coupling energy
Last edited by chelman on Fri Dec 14, 2012 6:57 pm, edited 1 time in total.
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support_vasp
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Re: SO coupling energy
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