mikibonacci aiidalab-qe-vibroscopy issues

mikibonacci / aiidalab-qe-vibroscopy

MIT License

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issues

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reducing the mesh in thermodynamic workchain

#82 AndresOrtegaGuerrero opened 3 weeks ago
0
fixing bug dielectric workchain for 1D/2D systems

#81 AndresOrtegaGuerrero closed 3 weeks ago
0
AiiDA Vibroscopy should be install as --user

#80 AndresOrtegaGuerrero opened 1 month ago
2
Separate resources for PhononsWorkChain and DielectricWorkChain

#79 AndresOrtegaGuerrero opened 1 month ago
0
Supercell size is not loaded

#78 AndresOrtegaGuerrero opened 1 month ago
0
Moving all the app modules into the "app" folder.

#77 mikibonacci closed 2 months ago
0
Update vibroworkchain.py by lowering the mesh

#76 mikibonacci closed 2 months ago
0
Automatic installation codes

#75 mikibonacci closed 1 month ago
1
Walltime fix

#74 AndresOrtegaGuerrero closed 2 months ago
0
Walltime fix

#73 AndresOrtegaGuerrero closed 2 months ago
1
Make release working with the qe-app last release + other improvements

#72 mikibonacci opened 2 months ago
0
Adding Walltime specification

#71 AndresOrtegaGuerrero closed 2 months ago
2
adding broadening widget control

#70 AndresOrtegaGuerrero closed 2 months ago
0
INS fails with 1D system

#69 AndresOrtegaGuerrero opened 2 months ago
1
symmetry tolerance 1e-3 for 1D

#68 AndresOrtegaGuerrero closed 2 months ago
0
reducing mesh for pdos and thermo for cheaper simulations

#67 mikibonacci closed 2 months ago
2
issue in installing phonopy via cmd

#66 mikibonacci closed 2 weeks ago
1
Add also cm-1 to the units allowed in INS. also, allow change of units in phonon bands

#65 mikibonacci opened 3 months ago
0
The downloaded data about plots should be txt, not json

#64 mikibonacci opened 3 months ago
0
nice to have Features requested by user from exp

#63 mikibonacci opened 3 months ago
0
Inelastic neutron scattering (INS) panel in results

#62 mikibonacci closed 2 months ago
4
Overrides is not updated

#61 AndresOrtegaGuerrero closed 2 months ago
7
Fix Tab Titles for IR/Raman

#60 AndresOrtegaGuerrero closed 3 months ago
0
If no modes and extra tab without title is created

#59 AndresOrtegaGuerrero closed 3 months ago
0
Fix Results visualization

#58 AndresOrtegaGuerrero closed 3 months ago
0
'PhononBandPdosPlotly' object has no attribute '_create_combined_plot'

#57 superstar54 closed 3 months ago
0
find `phonopy` path automatically

#56 superstar54 closed 3 months ago
0
add `update_input` to `workchain_and_builder`

#55 superstar54 closed 3 months ago
0
No module named 'widget_bandsplot'

#54 superstar54 closed 3 months ago
2
removing unused Class, updating resources

#53 AndresOrtegaGuerrero closed 4 months ago
3
Installation problem

#52 AndresOrtegaGuerrero closed 1 month ago
1
VibroWorkChain run_phonopy logic modifications

#51 AndresOrtegaGuerrero closed 6 months ago
0
Improve logic in WorkChain

#50 AndresOrtegaGuerrero closed 6 months ago
1
Adding tabs for each property section of phonons.

#49 mikibonacci closed 6 months ago
3
Animation of Phonons at Gamma

#48 AndresOrtegaGuerrero closed 2 weeks ago
0
Phonon Pdos projections

#47 AndresOrtegaGuerrero opened 6 months ago
2
Improvements on code readability (1): docstrings

#46 mikibonacci opened 7 months ago
0
add filter for too low intensity modes.

#45 mikibonacci closed 7 months ago
0
Improvements on results (7): display of dielectric quantities

#44 mikibonacci closed 2 weeks ago
0
Discussion with Lorenzo

#43 mikibonacci opened 7 months ago
0
Improve/logic

#42 mikibonacci closed 6 months ago
0
Improvements on results (6): bands and dos widget

#41 mikibonacci closed 6 months ago
0
Improvements on results (5): additional features for Neutron scattering

#40 mikibonacci opened 7 months ago
0
Improvements on results (4): adding more quantities to plot

#39 mikibonacci opened 7 months ago
0
Improvement on results (3): Raman and IR spectra parameters and polar plots

#38 mikibonacci opened 7 months ago
0
Improvements on result (2): having a separated app for INS?

#37 mikibonacci closed 2 weeks ago
1
Improvements on results (1): Phonopy versus Euphonic for phonon processing

#36 mikibonacci closed 6 months ago
2
Improvements on workchain (1): changing the logic

#35 mikibonacci closed 6 months ago
0
Improvements on settings (2): supercell hints and estimation of the number of supercells to be computed

#34 mikibonacci opened 7 months ago
0
Improvements on the settings (1): choice of the properties

#33 mikibonacci closed 6 months ago
0