[Wannier] Error: Found a mismatch in graphene.eig

Mostofi, Arash a.mostofi at imperial.ac.uk
Wed Feb 14 16:15:05 CET 2018


Hi Mohammed
Usually you need to apply some chemical intuition. As Valerio pointed out in an earlier response, looking at some of the examples in the Wannier90 distribution may help you.
Best wishes,
Arash

—
Arash Mostofi — www.mostofigroup.org<http://www.mostofigroup.org>
Director, CDT in Theory & Simulation of Materials
Imperial College London

On 6 Feb 2018, at 11:23, Mohammed Ghadiyali <m786g at live.co.uk<mailto:m786g at live.co.uk>> wrote:

Hi,

Thanks for the solution.
I do have an additional question, i.e. How one is to select projections?
I have gone through some of the posts and there it is recommended that one can use random, hence my selection.

Regards,
Ghadiyali Mohammed Kader
Research Scholar
Department of Physics
University of Mumbai
_______________________________________________
Wannier mailing list
Wannier at quantum-espresso.org<mailto:Wannier at quantum-espresso.org>
http://mailman.qe-forge.org/cgi-bin/mailman/listinfo/wannier

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20180214/3987a87b/attachment.html>


More information about the Wannier mailing list