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Dear WIEN2k community;</div>
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I tried to make a spin polarized calculation the Ce metal;</div>
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FCC a=b=c=5.16A with a U=5eV</div>
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and also an antiferromagnetic calculation</div>
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a=b=c/sqrt(2), c=5.16A</div>
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Ce up; 0,0,0</div>
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Ce dn; 1/2, 1/2, 1/2</div>
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and they did not converge with cc=0.001</div>
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for the ferromagnetic calculation I did 140 iterations with RxK=7 and #K=10,000</div>
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<span>:ENERGY convergence: 0 0 .0000693950000000<br>
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<div>:ENERGY convergence: 0 0 .0001091800000000<br>
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<div>:ENERGY convergence: 0 0 .0002001000000000<br>
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<span></span><span>:DIS : CHARGE DISTANCE ( 0.0377909 for atom 1 spin 1) 0.0820411<br>
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<div>:DIS : CHARGE DISTANCE ( 0.0301614 for atom 1 spin 1) 0.0685493<br>
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<div>:DIS : CHARGE DISTANCE ( 0.0278653 for atom 1 spin 1) 0.0641289<br>
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for the antiferromagnetic calculation I had RxK=7 and #K=1,000 and I did 63 iterations<br>
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I find confusing that a simple calculation for a lanthanide element does not converge.</div>
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Pablo<br>
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