easyunfold

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There are flat bands in unfolded band structure of supercell structure (K-paths are not recognized well)

2

I calculated the unfolded band structure of Sb2Si2Te6 supercell with pymatgen k-path. There are some flat bands between high symmetry points when I plot the unfolded band structure without atom...

Douwz

Currently the loops in `PROCAR` parsing and `spectral_function_from_weight_sets` run over all bands/kpoints in the calculation. In many cases, the bands extend over a very large energy range (e.g. in the...

kavanase