[Wien] MAE calculation
Jihoon Park
jpark61 at crimson.ua.edu
Sat Jun 4 00:35:16 CEST 2011
I have been calculating MAE using WIEN2k.
I have done the followings,
---------------------------------------------------------------------------
WFFIL
4 1 0 llmax,ipr,kpot
-10.0000 1.50000 emin,emax (output energy window)
0. 0. 1. direction of magnetization (lattice vectors)
0 number of atoms for which RLO is added
0 0 0 0 0 number of atoms for which SO is switch
off;atoms
---------------------------------------------------------------------------
and dm as well.
I did not get any error, but everytime I calculate MAE, I get easy plane
results for MnAl.
I do not know what is wrong.
Please give me some advice.
Thank you.
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