<div>Dear wien2k users ;</div>
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<div> I want to run antiferro calculation on Gd .Because someone reported the ground state of Gd is antiferro. After Running antiferro calculation i attain this results :</div>
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<div> <strong>EnE: -45111</strong></div>
<div><strong> Mtot/atom : 0.735</strong> </div>
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<div> But after S.P calculation i found :</div>
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<div> <strong>EnE: -40956</strong></div>
<div><strong> Mtot /atom : 7.5</strong> </div>
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<div> The case.inst is in attachment . I think for Gd we can't change the orientation of 4f-electron because it need to high energy so i flip only valence electron but yet Mtot/atom is very smaller than experimental result !!!
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<div> Am I right ? Please guide me !</div>
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<div>Regard ,</div>
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