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<p>Dear Prof Blaha</p>
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<p>Two months ago, you have fixed problems with OPTIC and JOINT files.</p>
<p><a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15724.html" class="OWAAutoLink" id="LPlnk358977" previewremoved="true">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15724.html</a></p>
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<p>To calculate the optical properties of Au using DFT+U/EECE , we should do spin polarized calculations as we know. However, I noted that the values of the dielectric constant from the spin-polarized calculation is twice that of the non-spin polarized one.</p>
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<p>To confirm my notice I copied case.jointup file to case.joint then proceeded as usual. I found that the values obtained from the spin-up only is equal to that of the non-spin polarized calculations. </p>
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<p>- Does the step of adding the spin up and the spin down calculation produce the correct normalization?.</p>
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<p>Best regards</p>
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<p>Osama<br>
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