mikibonacci / aiidalab-qe-vibroscopy

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Improvement on results (3): Raman and IR spectra parameters and polar plots #38

Open mikibonacci opened 7 months ago

mikibonacci commented 7 months ago

Raman and IR spectra improvement:

In principle, it is possible to define HH/VV and HV geometries for the scattering spectra (backward or 90 degree deviation geometries). In principle, this can be defined as input when spectra are computed; https://github.com/mikibonacci/aiidalab-qe-vibroscopy/issues/43

the light polarization is another thing, and is the one already defined in our widgets.

Polar plots:

In principle, one can define the spectra intensity for a range of polarization, being then angle dependent, and plot in a so-called polar plot. We should define input and output polarization in function of this angle, and plot for [0,2pi]/N, where N is the number of point on the cirumference.