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Explore saddle points #24

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WardLT opened this issue Nov 16, 2023 · 1 comment

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WardLT commented Nov 16, 2023

See if we get negative frequencies in the proper directions for saddle points.

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WardLT commented Nov 16, 2023

Similarly, we could see if the approximate Hessians are able to identify the same "weak" bonds from the low frequencies (100 1/cm or less)

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