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

[Mohammed Ghadiyali]

Dear All,


I 'm trying to perform wannier90 calculations to get the "wannier90_hr.dat", for graphene.

I 'm using Quantum ESPRESSO  version 6.2 for my initial calculations and have been successfully able to perform calculations till pw2wannier.x.

But after that I 'm having this error (from werr file):


Found a mismatch in graphene.eig
Wanted band  : 1 found band  : 11
Wanted kpoint: 2 found kpoint: 1

I have check my inputs, but I am not being able to identify the issue. I 'm attaching my inputs.
Please help me find the issue.

Regards,
Ghadiyali Mohammed Kader
Research Scholar
Department of Physics
University of Mumbai


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