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<span>Dear all,</span></div>
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<span>I would like to learn how to use the hp.x program to calculate Hubbard parameters. I successfully finished the examples in the tutorial. But when I tried with my inputs, an error pops up as follows. I attached my input and output files for the pw.x and
hp.x. It would be very helpful if anyone could have a look. Thank you in advance. </span></div>
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Best,</div>
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Bin</div>
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<span> =-------------------------------------------------------------=<br>
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<div> Calculation for q # 3 = ( 0.3333333 0.5773499 0.0000000 )<br>
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<div> =-------------------------------------------------------------=<br>
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<div> Performing NSCF calculation at all points k and k+q...<br>
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<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
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<div> Error in routine d_matrix (2):<br>
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<div> D_S (l=1) for this symmetry operation is not orthogonal<br>
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<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
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<div> stopping ...<br>
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<div> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
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