[Pw_forum] plotting bandstructure
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.
(University of Waterloo)
On Mon, Oct 9, 2017 at 12:42 PM, Gautam Gaddemane <gautamg88 at gmail.com>
> 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 GADDEMANE
> DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING
> UNIVERSITY OF TEXAS AT DALLAS
> Pw_forum mailing list
> Pw_forum at pwscf.org
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