[Pw_forum] plotting bandstructure
Manu Hegde
mhegde at uwaterloo.ca
Mon Oct 9 19:17:56 CEST 2017
.gnu file gives energies in ryd. so you have to convert that into eV.
I am not sure about calculating band structure using mesh, I always use
high symmetric specific k-points. experts can give some feedback.
HTH
Manu
(University of Waterloo)
On Mon, Oct 9, 2017 at 12:42 PM, Gautam Gaddemane <gautamg88 at gmail.com>
wrote:
> Hello All,
>
> I am new to QE and I am trying to use bands.x to plot the band structure.
> The band energies I obtain look right in the output file but the .gnu file
> has wrong energies.
> Could anyone please describe how to use bands.x for me please
>
> I have another question: I need to calculate the band structure on a mesh
> and I need to obtain it in a readable file format. How do I do that ?
>
> Thank you
> Gautam
>
> GAUTAM GADDEMANE
> DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING
> UNIVERSITY OF TEXAS AT DALLAS
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20171009/a1bb5924/attachment.html>
More information about the users
mailing list