Invalid rescaled energy in greens function
It sometimes happens that e_rescaled
exceeds [-1.0, 1.0]
, triggering a RuntimeWarning
and returning np.nan
at kpm_funcs.py#L87-88.
For example, it failed with these values for e_rescaled
, e
, _b
and _a
:
[-0.97388208 -1.00182976 -0.87335181] [-0.51285752 -0.51406303 -0.50852119] -0.4708495112868156 0.043134592326134265