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Spin-Polarized Band structure Plotting #3

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shahid-sattar opened this issue Aug 27, 2021 · 6 comments
Open

Spin-Polarized Band structure Plotting #3

shahid-sattar opened this issue Aug 27, 2021 · 6 comments

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@shahid-sattar
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Thanks for making vaspvis available, it is indeed very useful.
I am trying to plot spin-polarized band structure but it seems that only 1 spin-channel is plotted, using the simple plotting command.
What needs to change to plot this correctly?
below is a comparison for vaspvis and p4vasp plots.
Screenshot from 2021-08-27 14-28-32

@DerekDardzinski
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There is a function in the standard module called band_plain_spin_polarized. In fact, all of the functions have a spin_polarized version.

@shahid-sattar
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alright, thanks for the clarification. I tried using that and it plots up and down channel separately, can they be plotted together?

@DerekDardzinski
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you could do that by:

from vaspvis import standard as st

fig, ax = st.band_plain_spin_polarized(
folder='band',
up_color='black',
down_color='black',
up_linestyle='-',
down_linestyle='-',
save=False,
)
ax.get_legend().remove()
fig.tight_layout(pad=0.4)
fig.savefig('band_plain_sp.png')

@shahid-sattar
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It worked.
Thanks a lot!
Very useful indeed.
Screenshot from 2021-08-27 16-15-21

@shahid-sattar
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shahid-sattar commented Oct 8, 2021

Apologies but reverting back on this:
I have spin-orbit (LSORBIT=.TRUE.) band structure for which I want to plot band structure projected on different spin-channels (sx, sy, and sz). I am little confuse on which option should be used for this purpose?
To be more precise, I want to have a SO projected band structure on different spin-components. Below plot from another code is a reference to how it should look like.
Screenshot from 2021-10-08 11-39-51

@DerekDardzinski
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You can set soc_axis='x', soc_axis='y', or soc_axis='z' to project onto the components. It won't be exactly the same as the example you showed, it will look more like the other spin-polarized plots generate with vaspvis.

from vaspvis import standard as st
st.band_plain_spin_polarized(folder='band', soc_axis='z', up_color='red', down_color='blue', sp_scale_factor=5)

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