Comments (1)
savya10
commented on June 18, 2024
All done! I have tried to use a simple bandstructure with silicon (mp-165), as well as a small energy mesh and simple calculations, but it might be good to use a material with less bands to simplify the data and speed up the tests.
Tests have been done for generator and plotter, along with some slight changes for both of these modules to optimise them further. I avoided doing tests for tas.py and kpoints as tas is just a container class, and @utf assured me kpoints was ok.
Some parts have been commented with hashes- @utf @aronwalsh could you please have a read? I implemented some things that seem desirable/better to me, but your input on this would be better.
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Related Issues (20)
- api should be an optional argument HOT 1
- Make bandgap_ev an optional argument in plotter HOT 1
- Tidy plotter arguments HOT 2
- Selecting spin channels for transitions is clunky
- Auto mode for transition selection HOT 1
- gaussian_width argument is not used in generate_tas HOT 1
- Package needs documentation HOT 2
- Remove .DS_Store and .idea folders and add .gitignore HOT 4
- Remove plotly from requirements
- Remove paper PDFs from example folders HOT 6
- Labelling bands relative to VB and CB HOT 2
- Implementing deltaT/T HOT 2
- New examples
- Automatic transition selection HOT 1
- Better error message if line mode band structure provided
- Irrelevant TAS topic HOT 1
- Error with CdTe BS HOT 4
- Extra pages in documentation HOT 3
- Remove print statements
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