aiidalab / aiidalab/aiidalab-qe-vibroscopy

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

Ouverte
#38 0 commentaires 0 réactions 1 personne assignée Réclamée par @mikibonacci Voir sur GitHub
enhancement
Langage dominant
Python
Étoiles
1
Forks
3
Métriques de merge des PR
Aucune PR mergée en 30 j

Description

### Raman and IR spectra improvement:

- [x] show both IR and Raman: now we should have them at the same time
- [ ] add reset button for parameters
- [ ] #45
- [x] all properties should be downloadable (also phononic one... for now this is not true)

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

- [ ] Intensity average workchain.
- [ ] understand how you can define these in/out directions in the functions. In principle this can be defined via q=k_in-k_out

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.

Guide de contribution

Aucun guide de contribution indexé pour ce dépôt

Évaluation

Cette issue n'a pas encore été évaluée.

Recevez les nouvelles issues par e-mail

Un résumé court des issues GitHub adaptées aux débutants.