<p>I have been calculating MAE using WIEN2k.<br> <br>I have done the followings,<br>---------------------------------------------------------------------------<br>WFFIL<br>4 1 0 llmax,ipr,kpot<br>-10.0000 1.50000 emin,emax (output energy window)<br>
0. 0. 1. direction of magnetization (lattice vectors)<br>0 number of atoms for which RLO is added<br>0 0 0 0 0 number of atoms for which SO is switch off;atoms<br>
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<p>and dm as well.<br> <br> <br>I did not get any error, but everytime I calculate MAE, I get easy plane results for MnAl.<br>I do not know what is wrong.<br> <br>Please give me some advice.<br> <br> <br>Thank you.</p>