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Added dielectric function calculation #75

Merged
merged 4 commits into from
Dec 21, 2022
Merged

Added dielectric function calculation #75

merged 4 commits into from
Dec 21, 2022

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jmmshn
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@jmmshn jmmshn commented Dec 21, 2022

Allow the band-specific dielectric function to be calculated using the data in the WAVEDER file.

Added tests and notebook.

Since the quality of the calculation in the test case is pretty low setting ISYM=0 actually breaks the old tests.
So the LOPTICS=True calculations are stored in a separate directory.

@jmmshn jmmshn merged commit c168c34 into main Dec 21, 2022
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