[Wannier] Fermi Energy Shift in the Band Structure

[Truman Ng Yu]

Hi Wannier90 users,

I plotted the band structure with Wannier90 v3.1.0 so that I can compare with the band structure from Quantum Espresso. I tried to use bands_plots = true and kpath_task = bands. I set the fermi_energy to be the same value as the Fermi energy in the scf output from Quantum Espresso. From the output bands data, I shifted the second column (energy) by fermi_energy. But the Wannier90 band structure doesn't match the Quantum Espresso band structure.

Previously, it worked perfectly for the same material even though the final high symmetry point is Sigma instead of Sigma_1. But I don't think that's the problem. I'm not sure why this is happening. May I know why?

The input file is here: https://drive.google.com/file/d/1ATqo5h3YFkv1qhyT999QtPOTY5BoHzhM/view?usp=sharing
The band structures are here: https://drive.google.com/file/d/1Ha5yoRqimu2qd9i5FV1S8GJKyolmjhD_/view?usp=sharing

Thanks.

Regards,
Truman Ng
National University of Singapore
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