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<div style="font-size:10pt;font-family:Dotum;line-height:150%;"><style type="text/css">p{line-height:160%;}</style><span style="color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small; background-color: rgb(255, 255, 255);">Dear
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I am calculating on magnetic properties such as MAE of Sm-Fe system with version Wien2k - 19.1 I think my SOC calculations are correct that before adding U value. Because adding U=1eV, MAE value decreased between 14meV to -13meV and U value increases MAE value
linearly decreased. I checked both structures that grouped and ungrouped structures. Is it possible to changes just U=1eV can decreases 14meV to -13meV? I attached input files of my grouped structure, </div>
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case.inorb file:</div>
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1 1 0 nmod, natorb, ipr<br>
PRATT 1.0 BROYD/PRATT, mixing<br>
1 1 3 iatom nlorb, lorb<br>
1 nsic 0..AMF, 1..SIC, 2..HFM<br>
0.074 0.0 U J (Ry) Note: you can also use U_eff = U-J and J=0<br>
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Here is using my criteria details: </div>
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-ec 0.000001, -fc 0.5 </div>
<span style="background-color: rgb(255, 255, 255); color: rgb(34, 34, 34); font-family: Arial, Helvetica, sans-serif; font-size: small;"> -number of k-points : 512</span><br>
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