[Pw_forum] The bands cross problem

evan ewan26 at 126.com
Sun May 1 15:46:00 CEST 2016


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
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