[Wannier] Regarding Band gap in DOS

Stepan Tsirkin tsirkinss at gmail.com
Thu Oct 15 11:23:13 CEST 2020


Dear Ankit,

it is more likely that someone can assist if you describe your problem in more details, probably including some input/output files or figures, to describe what you do and how much the bandgap does not match.

Regards,
Stepan.

------------------------------------
Stepan Tsirkin
University of Zurich
stepan.tsirkin at uzh.ch

https:///wannier-berri.org

> On 14 Oct 2020, at 12:05, Ankit Sirohi <ankitvlsi16 at gmail.com> wrote:
> 
> Dear Users,
> 
> I am calculating DOS and quantum conductance using wannier90 in silicene armchair nanoribbons. But the bandgap in DOS, as well as in quantum conductance, is not matching with the bandgap in interpolated bandstructure. 
> Will increasing the k-points help or there is some other solution?
> 
> I request experts to kindly help me in this regard.
> 
> Thank You,
> Ankit Sirohi.
> Research Scholar.
> Department of Electrical Engineering
> Indian Institute of Technology.
> Patna
> 
> _______________________________________________
> Wannier mailing list
> Wannier at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/wannier

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20201015/44d3c0c0/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: wannierberri.png
Type: image/png
Size: 7302 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20201015/44d3c0c0/attachment.png>


More information about the Wannier mailing list