Comments (4)
i think with #19 you are hidden the option of frequency and temperature
from aiidalab-qe-vibroscopy.
In principle only for IR, as in the aiida-vibroscopy functions used (run_single_crystal_ir_intensities and run_powder_ir_intensities) we cannot define T and laser frequency. Maybe I am missing something
from aiidalab-qe-vibroscopy.
ahh ok, then we can close it, since we are already doing this. https://aiida-vibroscopy.readthedocs.io/en/latest/howto/postprocess.html#how-to-get-powder-spectra
The only thing might be pending is to consider only pol_incoming=incoming for IR and ignore outcoming , for the crystal spectrum in IR , after that then we can close this one
from aiidalab-qe-vibroscopy.
right... I will do it
from aiidalab-qe-vibroscopy.
Related Issues (20)
- Improvements on results (6): bands and dos widget
- Discussion with Lorenzo
- Improvements on results (7): display of dielectric quantities
- add filter for too low intensity modes.
- Improvements on code readability (1): docstrings
- Phonon Pdos projections HOT 2
- Animation of Phonons at Gamma
- Improve logic in WorkChain HOT 1
- Installation problem
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- If no modes and extra tab without title is created
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- Features requested by user from exp
- The downloaded data about plots should be txt, not json
- Add also cm-1 to the units allowed in INS. also, allow change of units in phonon bands
- issue in installing phonopy via cmd HOT 1
- reducing mesh for pdos and thermo for cheaper simulations HOT 2
- INS fails with 1D system
- Make release working with the qe-app last release + other improvements
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