aiidalab / aiidalab/aiidalab-qe-vibroscopy

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

Aperta
#38 0 commenti 0 reazioni 1 assegnatario Rivendicata da @mikibonacci Vedi su GitHub
enhancement
Lingua principale
Python
Stelle
1
Fork
3
Metriche di merge delle PR
Nessuna PR unita negli ultimi 30g

Descrizione

### 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.

Guida per i contributori

Nessuna guida per i contributori indicizzata per questo repository

Valutazione

Questa issue non è ancora stata valutata.

Ricevi le nuove issue nella tua casella

Un breve riepilogo di issue GitHub adatte ai principianti.