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mikibonacci
/
aiidalab-qe-vibroscopy
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Issues:
47
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1
mikibonacci/aiidalab-qe-vibroscopy Issues
Separate resources for PhononsWorkChain and DielectricWorkChain
Updated
4 days ago
Supercell size is not loaded
Updated
14 days ago
Make release working with the qe-app last release + other improvements
Updated
22 days ago
INS fails with 1D system
Updated
2 months ago
reducing mesh for pdos and thermo for cheaper simulations
Closed
a month ago
Comments count
2
issue in installing phonopy via cmd
Updated
a month ago
Comments count
1
Add also cm-1 to the units allowed in INS. also, allow change of units in phonon bands
Updated
2 months ago
The downloaded data about plots should be txt, not json
Updated
2 months ago
Features requested by user from exp
Updated
2 months ago
Overrides is not updated
Closed
a month ago
Comments count
7
If no modes and extra tab without title is created
Closed
3 months ago
'PhononBandPdosPlotly' object has no attribute '_create_combined_plot'
Closed
3 months ago
No module named 'widget_bandsplot'
Closed
3 months ago
Comments count
2
Installation problem
Updated
3 months ago
Improve logic in WorkChain
Closed
5 months ago
Comments count
1
Animation of Phonons at Gamma
Updated
5 months ago
Phonon Pdos projections
Updated
5 months ago
Comments count
2
Improvements on code readability (1): docstrings
Updated
5 months ago
add filter for too low intensity modes.
Closed
6 months ago
Improvements on results (7): display of dielectric quantities
Updated
6 months ago
Discussion with Lorenzo
Updated
6 months ago
Improvements on results (6): bands and dos widget
Closed
5 months ago
Improvements on results (5): additional features for Neutron scattering
Updated
5 months ago
Improvements on results (4): adding more quantities to plot
Updated
6 months ago
Improvement on results (3): Raman and IR spectra parameters and polar plots
Updated
6 months ago
Improvements on result (2): having a separated app for INS?
Updated
6 months ago
Improvements on results (1): Phonopy versus Euphonic for phonon processing
Closed
5 months ago
Comments count
2
Improvements on workchain (1): changing the logic
Closed
5 months ago
Improvements on settings (2): supercell hints and estimation of the number of supercells to be computed
Updated
6 months ago
Improvements on the settings (1): choice of the properties
Closed
5 months ago
Daemon workers should be check and increased if structure is big
Closed
8 months ago
Comments count
1
Refactor Settings panel
Closed
8 months ago
Comments count
1
Settings Summary
Updated
8 months ago
Display which workchain property is run
Updated
6 months ago
Comments count
3
Support 1D and 2D Band phonon dispersion
Closed
5 months ago
Comments count
1
if polar is selected the IRamanWorkChain should take that into account to run the average workchain
Closed
6 months ago
Comments count
5
expose vibroscopy nodes to output widgets
Closed
8 months ago
setting the cell 1x1x1 if raman/ir is selected.
Closed
8 months ago
Comments count
2
Output widgets only working for Raman
Closed
8 months ago
Comments count
2
Add a warning for npools >1, not supported with electric fields in QE.
Updated
6 months ago
handling extra plugins
Closed
9 months ago
Comments count
1
the plugin should display the phonopy code
Closed
9 months ago
Comments count
5
Allowing multiple properties in the same run
Closed
6 months ago
Comments count
2
select live the frequency and temperature for raman and IR spectra plots
Closed
8 months ago
Comments count
4
Seems not to update the "spectroscopy" button if reset.
Closed
8 months ago
Input functionalities
Closed
6 months ago
Results panel functionalities and more
Updated
5 months ago
Comments count
3