Fix `phonon_bands` for band structures with different paths in k-space

janosh / pymatviz

A toolkit for visualizations in materials informatics.

https://janosh.github.io/pymatviz

MIT License

176 stars 16 forks source link

Closed janosh closed 1 week ago

janosh commented 1 week ago

breaking: branch_mode renamed to path_mode in phonon_bands()
Add new "strict" option to path_mode for handling k-path mismatches
Fix issue where k-path segments were incorrectly overlaid when band structures had different paths (unseen k-path segments are now appended to the right edge of the band structure plot)
Add more unit tests for path_mode functionality