[DFTB-Plus-User] Band Gap calculation

[Sarah Gamal]

This is the right file.
Sorry for the disturbance.

On Sun, Nov 4, 2018 at 12:56 PM Sarah Gamal <s.abouelhasab at gmail.com> wrote:

> Dear,
> I am working on a project and we need to calculate the band gap for
> graphene nanomesh.
> The band gap was calculated for the same system by siesta and espresso and
> it was 0.7 eV.
> When it's calculated by DFTB+ it was about 0.185 eV.
>
> What do you think the problem?
> I attached the input file, should I add any parameters?
>
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