Dear developer?? I tried to use the new version of QE to calculate scf and then phonon spectrum, and there was no problem with self consistency. When calculating phonon spectrum, I always reported an error. After reading the discussion on these topics on the forum, I determined that there is label=3D in the pseudopotential. My example is FeO in example08 in the PW module. I have uploaded my calculation file to you and request your help in pointing out how to set up error avoidance: from offset-atom_wfc: error # 1 Hubbard manifold with zero occurrences is not allowed Best wishes?? Quxiao
FeO.rar
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