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<span style="color:rgb(34, 34, 34);font-family:Arial, Helvetica, sans-serif;font-size:small;background-color:rgb(255, 255, 255);display:inline !important" class="ContentPasted0">Hi, </span>
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I'm trying DFT+U calculation with spin orbit and noncollinear. However the current working version is giving the "<span style="color:rgb(0, 0, 0)" class="ContentPasted0">Hubbard manifold with zero occupations is not allowed" error.
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<span style="color:rgb(0, 0, 0)" class="ContentPasted0">Then I downloaded the developed version. It is</span> not giving any error anymore but occupation of hubbard levels are still zero for nscf calculation but not for scf calculation.</div>
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<div class="ContentPasted0"> Number of occupied Hubbard levels = 3.6094 for last iteration of scf<br class="ContentPasted0">
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<div class="ContentPasted0"> Number of occupied Hubbard levels = 0.0000 for nscf<br class="ContentPasted0">
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Is it possible to calculate DFT+U with noncollinear? I mean is this the problem? or something else. <span style="color:rgb(0, 0, 0)" class="ContentPasted0">Here I attached scf and nscf inputs and outputs.
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Best Regards,</div>
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Mustafa.</div>
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<div class="ContentPasted0">Mustafa Ozgur</div>
<div class="ContentPasted0">PhD Student</div>
<div class="ContentPasted0">ESOGU, Turkey</div>
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