Dear all
For obtaining correct results for MAE(magnetic anisotropy energy), at first we
must relax atomic positions. Does This relaxation must be done by a
pseudopotential that? include the spin-orbit effect or ?without spin -orbit in
pseudopotential?
After? obtaining the optimum atomic position , for obtaining the accurate MAE ,
which?Kpoint mesh is suitable( high K mesh or as perviuos step(relaxation)?
common K mesh)?
?And what is suitable for thereshold of energy?
thanks a lot
Ali Kazempour, Dept. Of . Phys. .Isfahan university of technology
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