Fix k-point indicies in sumo-bandstats #169
Merged
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The pymatgen logic for extracting branches in the band structure requires duplicating the high-symmetry points. To avoid wasting compute resources on these extra points, sumo-bandplot/bandstats adds this points dynamically rather than including them in the DFT calculation.
However, this means
sumo-bandstats
reports the wrong indices for the VBM and CBM with respect to the band structure calculation. This PR fixes this behaviour.Fixes: #167