Fix: indexing error in Procar._read()#4502
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shyuep merged 2 commits intomaterialsproject:masterfrom Oct 7, 2025
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Summary
Major changes:
PROCAR(for example, the double-counting of symmetry points when using a k-path for plotting bandstructure).Previously, projections, eigenvalues, occupations and weights would be attributed to the wrong k-points. Also, the k-point following the skipped k-point would have complex projections of NaN, as well as an occupation, weight, eigenvalue and squared projections of 0.