HI Evan, I had the similar problem (overlapping of bands), just put no_overlap = .true. , in bands.in file, it should work. Also you may have to increase the k-points.
Hope it helps. Manu University of Waterloo On Sun, May 1, 2016 at 9:46 AM, evan <[email protected]> wrote: > 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 > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
