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New relase 0.1.3

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@zhubonan zhubonan released this 27 Mar 14:19
· 243 commits to main since this release

New features:

  • Effective band structure (spectral function) plot with atomic projections with custom colour maps, combined or separated, thanks goes to @kavanase #8 #4

Updates

  • Improved the detection of band edges for complex systems. Note that the implementation for unfolded effective band structure is not going to be as robust as for primitive cell band structures. The results need to be visually checked if necessary.

Bug fix

  • Fixed an issue where the primitive cell and supercell symmetries are printed in the opposite tags in the CLI. @adair-nicolson #7

Documentation

  • Documentation updated with instructions for atomic projection
  • Documentation build system is changed from mkdocs to sphinx with myst-parser