[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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