np.(arange->linspace) in io/vasp/optics.py get_delta, get_setp and epsilon_imag
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…y for get_delta, get_step, and epsilon_imag. The lenght of the array generated by numpy.arange is not numerically stable (see https://numpy.org/doc/stable/reference/generated/numpy.arange.html) and can be different from NEDOS.
Changing numpy.arange to numpy.linspace in the io/vasp/optics.py to avoid numerical instabilities.
janosh
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np.(arange->linspace) in io/vasp/optics.py get_delta, get_setp and epsilon_imag
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Thanks @LucasGVerga! |
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np.linspaceensures the array size is numerically stable. See thenumpy.arangewarning.