Hello,
I'm computing a U value using HP code for ferromagnetic insulator. After 2 SCF procedures, I'm running HP code, there are 6 q points. When half of the job is done (3 q points), I got this error:
.....
highest occupied, lowest unoccupied level (ev): 8.9241 9.4470
Writing all to output data dir ./tmp/HP/PLASTIC.save/
Done!
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine d_matrix (2):
D_S (l=3) for this symmetry operation is not orthogonal
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
stopping ...
Is it something easy to fix?
Thank you,
Sergey
USF
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