[Wannier] Inconsistency between DOS, Quantum conductance and Band structure

Ankit Sirohi ankitvlsi16 at gmail.com
Wed Jan 27 17:10:42 CET 2021


Dear experts,

I was wondering if there is a solution to this issue.

I emailed you a few days back and I am checking in to see if you have an
answer to this query.
I appreciate your help.

Thank you for your time in advance.

Ankit Sirohi

On Sun, Jan 24, 2021 at 9:08 PM Ankit Sirohi <ankitvlsi16 at gmail.com> wrote:

> Dear Users,
>
> I am calculating DOS and quantum conductance using wannier90 in graphene
> armchair nanoribbons. But the bandgap in DOS, as well as in quantum
> conductance, is not matching with the bandgap in interpolated
> bandstructure.
> I am attaching the input, output files as well as the plotted results.
>
> I kindly request the experts to help me in this regard.
>
> Thank You,
> Ankit Sirohi.
> Research Scholar.
> Department of Electrical Engineering
> Indian Institute of Technology.
> Patna
>
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