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Spin-polarised projected bands not possible #186

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badw opened this issue Nov 18, 2022 · 1 comment
Open

Spin-polarised projected bands not possible #186

badw opened this issue Nov 18, 2022 · 1 comment
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enhancement New feature or request

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@badw
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badw commented Nov 18, 2022

when using:

sumo-bandplot --project

for a spin-polarised system, you can't get the spin-up and spin-down components plotted separately unless using --spin 1 or --spin -1 to get 2 separate plots.

I think it could be nice to have the linestyle plotted as solid and dashed lines respectively.

This is also the case with the --dos option which only returns the spin-up or down and not both or combined into one as it does with the band structure.

illustrations:

with sumo-bandplot --project Fe.d,Cl.p --dos ./vasprun.xml

image

with just sumo-bandplot --dos ./vasprun.xml

image

@badw badw added the enhancement New feature or request label Nov 18, 2022
@badw
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badw commented Nov 18, 2022

actually on closer inspection in sumo.bs_plotter.SBSPlotter.get_projected_plot it seems that in line 609 that the option is there:

ls = "-" if spin == Spin.up else "--"

and then applies that to LineCollection however it doesn't seem to end up in the final plot

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