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Minor terms missing for off-diagonal derivative calculations #813

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zerothi opened this issue Jul 30, 2024 · 0 comments

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zerothi commented Jul 30, 2024

Describe the bug
See the details here: https://doi.org/10.1103/PhysRevB.98.115115

We miss a small contribution to the off-diagonal based on the position matrix.

However, the position matrix+expectation should be trivially handled.

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