NPBentley / CASTEP_bands

A Python module for performing band structure manipulation and generating publication quality plots.
MIT License
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Fixed color argument for plot_bands function #9

Closed Inker2401 closed 3 months ago

Inker2401 commented 3 months ago

plot_bands color argument now correctly works when specifying colours for individual bands specified via band_ids argument.

An example use case is added in the Examples/Si_plot_utils (doubling as example for plotutils.py in general which was missing from the previous set of examples.

Also, added a convenience wrapper to plot bands by occupancies (based simply on counting electrons, may not be physical for 'unusual' systems.

Si_plot_utils