Hi, All I calculate the band structure of LiF crystal, but the results show that the band lines cross, that is very strange. The input files and results are attached, the version of the QE codes employed is v5.2.0.
I do not know to fix the problem. Your suggestions or comments are highly appreciated. Regards. Evan USC, China
lif.scf.inp
Description: Binary data
lif.nscf.inp
Description: Binary data
lif.bands.inp
Description: Binary data
bands.in
Description: Binary data
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