SO coupling energy
Posted: Fri Dec 14, 2012 6:57 pm
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
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