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mkhorton
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Apr 18, 2025
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Thanks for reviewing this! The third-party software is sumo |
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Thanks. |
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Fixed errors in two of the k-points for the MCL reciprocal lattice (according to Table 16 in Setyawan-Curtarolo 2010)
M2 and D1 aren't included in the recommended k-point path, but third-party software that plots k-point paths using pymatgen labelled M2 in the path instead of M1 due to it being the "same" k-point.