[Pw_forum] The bands cross problem

[Manu Hegde]

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 <ewan26 at 126.com> 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
>
>
>
>
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