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Add ability to visualize orbital projection of bands in electronic band structure plots

Open janosh opened this issue 3 years ago • 1 comments

This suggestion comes from @munrojm.

We could take inspiration from https://github.com/SMTG-UCL/sumo (shout out to @utf 😄) and add an option to color bands by their orbital composition. See this example from the sumo gallery:

band_projected_stacked

janosh avatar Jul 25 '22 23:07 janosh

Yes, definitely on the wish-list!

Last time I looked into this, these were the constraints:

  • plotly (and other tools that ultimately rely on SVG) cannot support gradient lines, like matplotlib does, so we're limited and cannot use that style
  • The option of many individual circles of various sizes (as per the sumo example) might work, but we have not benchmarked -- will it be slow for large plots?
  • If the plot is for a spin-polarized bandstructure, how do we want to distinguish between spin, while also doing the orbital projections?

It would be great to support this feature on MP.

mkhorton avatar Jul 26 '22 19:07 mkhorton