When trying to plot a projected band with SOC defining selected_orbitals and selected_orbitals_2 I am encountering the following error:
Traceback (most recent call last):
File "/home/renan/work/mose2-wsse/bands/new.py", line 59, in <module>
band.plot_eigen(ax,path_kpoints=path_kpoints,cmap='viridis',selected_orbitals=s,selected_orbitals_2=p)
File "/home/renan/miniconda3/envs/yambopy/lib/python3.12/site-packages/qepy/projwfcxml.py", line 235, in plot_eigen
j = state[ib]['j']
~~~~~^^^^
IndexError: list index out of range
PS: It is worth mentioning that using only selected_orbitals the band with SOC plots normally.
Error when trying to plot the band structure using cmap on systems with SOC.
Moderators: palful, amolina, mbonacci
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Error when trying to plot the band structure using cmap on systems with SOC.
Renan Narciso Pedrosa, PhD Student
Federal University of Espirito Santo, Brazil.
Federal University of Espirito Santo, Brazil.
- palful
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Re: Error when trying to plot the band structure using cmap on systems with SOC.
Dear Renan,
Thank you for bringing this to our attention. Do you mind sending me the related files and databases - or, if they are too heavy, those of a minimal example - so that I may try to reproduce the issue and patch it?
Thank you!
Cheers,
Fulvio
Thank you for bringing this to our attention. Do you mind sending me the related files and databases - or, if they are too heavy, those of a minimal example - so that I may try to reproduce the issue and patch it?
Thank you!
Cheers,
Fulvio
Dr. Fulvio Paleari
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy
S3-CNR Institute of Nanoscience and MaX Center
Modena, Italy