Did you execute irrep (probably for a non-symmorphic SG) ??
rm case.irrep before x spaghetti
Am 22.04.2019 um 10:56 schrieb Mansouri Tahar:
Dear all,
I am running optimization of the Fe-Si structure under a cubic symmetry.
After performing volume cell optimization I tried to calculated the
electronic properties especially the band structure. Unfortunately I
have got the following error message:
ERROR: incorrect classes
0.4u 0.0s 0:00.47 100.0% 0+0k 0+408io 0pf+0w
Please note that I have not included the magnetic properties of Fe in my
calculation.
Thank you for your help
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