aiidalab / aiidalab/aiidalab-qe-vibroscopy
Results panel functionalities and more
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- [x] output dielectric properties not shown - extra tab. see also: https://github.com/mikibonacci/aiidalab-qe-vibroscopy/issues/39
- [x] Raman and IR in the same output, can choose what to plot on the fly
- [x] bands and dos plots: this is related to multiple phonopy runs in one simulation. This has to be done at the VibroWorkChain level (in the app-plugin) --> understand how to re-generate phonopy.yaml. - MIKI
- [x] exposing too many outputs if big systems. problem of vibronic outputs: it takes time.
- [ ] NICE TO HAVE: click on bands and see animation (see materials cloud, but be sure javascript supported) - at least the G modes. most interesting q-point for experiments. waiting also WeasWidget (multiple tabs issue). we can, for now, use the same animation as Raman (G point).
- [x] downloadable spectra
- [x] interactive raman (Temperature, energy of the incoming light)
Less critical - no real issues -:
- [x] number of supercell estimation in the settings phase
- [x] zoomed out modes in raman animation
- [x] arrows/lines shown in the animation, but is slow: maybe a rendered image on demand (button)? see osscar
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