[Wannier] discrepancy in wannier90 interpolated bandstructure and DFT bandstructure

Bhargab Kakati bhrgabkakati at iasst.res.in
Tue Jul 11 11:08:38 CEST 2023


Dear all,
I am pretty new to Quantum Espresso and Wannier90. After finding out the 
bandstructure of my system using QE, I am trying to find out the wannier 
interpolated band structure, but these two band structures show a 
significant discrepancy. I have tried changing the projection and 
disentanglement window, but I am not getting a better result. The input 
files and bandstructure plots can be found here 
https://drive.google.com/drive/folders/1kxI7TZ4UD4x3TlCX8vT-J2WVLzm0nBTX?usp=sharing 
. It might be a minor solution for the experts. Hoping to get a positive 
response. Thank You.

Bhargab Kakati,
Research Scholar,Computational Materials Science lab,
Institute of Advanced Study in Science and Technology,
Guwahati-781035,
Assam, India


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