[Wien] Magnetic anisotropy energy

[Madhav Ghimire]

Dear Prof. Blaha and wien users,

I tried to calculate the magnetic anisotropy energy (MAE) of
double-perovskites A2BB'O6 with magnetic ions in A (lanthanides) and B'
(transition metals) sites.
Following the definition and methods given in Phys. Rev. B 65 134422, i
obtain the MAE using
E=E(001)-E(100)
which is un-expectedly large (~ 1.0 eV)
I would be glad to get your opinion:
(i) In Wien2k, Can we calculate MAE as the total energy-difference between
E(easy axis magnetization) and E(hard axis) or need additional term to
include
(ii) Any relevant paper discussing about MAE based on Wien2k calculations

Thanks

Madhav Ghimire

-- 
MANA, Nano-System Theoretical Physics Unit
NIMS, Tsukuba, Japan
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