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Acousticness definition wrong for multiple atom types #120

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ExpHP opened this issue Jul 15, 2021 · 0 comments
Open

Acousticness definition wrong for multiple atom types #120

ExpHP opened this issue Jul 15, 2021 · 0 comments

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@ExpHP
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ExpHP commented Jul 15, 2021

In MoS2 we're seeing a sum of acousticness > 3. Acousticness should project the eigenvectors onto the acoustic kets, rather than projecting the renormalized directions onto the acoustic directions. (the renormalization bit in hindsight makes us lose the orthonormality of the eigenvectors, which can explain the sum > 3)

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