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Fix phonon_bands for band structures with different paths in k-space #250

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merged 3 commits into from
Nov 21, 2024
Merged

Fix phonon_bands for band structures with different paths in k-space #250

merged 3 commits into from
Nov 21, 2024

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janosh
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@janosh janosh commented Nov 21, 2024

  • 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

@janosh janosh added fix Bug fix PRs phonons Phonon bands and DOS plots labels Nov 21, 2024
@janosh janosh merged commit 8bc182e into main Nov 21, 2024
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@janosh janosh deleted the fix-phonon-bands-different-kpaths branch November 21, 2024 21:32
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fix Bug fix PRs phonons Phonon bands and DOS plots
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