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Add derivative of H and D #406

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zerothi opened this issue Dec 7, 2021 · 0 comments
Closed

Add derivative of H and D #406

zerothi opened this issue Dec 7, 2021 · 0 comments

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@zerothi
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zerothi commented Dec 7, 2021

Describe the feature

It is often nice to have access to the derivative of the band-structures. So we should generalize this in the electron.py code.

Also, this would enable complex derivatives, while the velocity calculation should return the real part of the derivative times a constant.
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