Dear Prof. Peter Blaha, I checked case.qtlup file at Fermi level (0.5Ry) and I find that there are near zero numbers corresponding to JATOM 3 d-levels ....
0.52203 3 0.00190 0.00004 0.00140 0.00090 0.00000 0.00000 0.00029 0.00000 0.00021 0.00046 0.00000 0.00025 0.00000 0.00007 0.00000 0.00000 0.00004 0.00000 0.00010 0.00000 But for without spin-orbit calculation I got non-zero values for JATOM 3 d-level at Fermi level.... 0.52230 3 0.02796 0.00005 0.00388 0.00067 0.00099 0.00221 0.00737 0.00007 0.00251 0.00113 0.00203 0.00162 0.00113 How can it be possible!!! Am I missing something. Can you give some suggestion? Thank you very much, Santu Baidya
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