SMTG-Bham / sumo

Heavyweight plotting tools for ab initio calculations
https://smtg-bham.github.io/sumo/
MIT License
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sumo phonon plot erro #230

Closed Asif-Iqbal-Bhatti closed 10 months ago

Asif-Iqbal-Bhatti commented 11 months ago

Hello,

I keep on getting this error " sumo-phonon-bandplot --seekpath --no-base-style --dim 1 1 1 -u THz Using supercell with dimensions: [[1. 0. 0.] [0. 1. 0.] [0. 0. 1.]]

Calculating force constants... Structure information: Space group number: 1 International symbol: P1 Lattice type: triclinic

k-point path: \Gamma -> X | Y -> \Gamma -> Z | R -> \Gamma -> T | U -> \Gamma -> V

k-points: Z: 0.0 0.0 0.5 T: 0.0 0.5 0.5 R: 0.5 0.5 0.5 X: 0.5 0.0 0.0 Y: 0.0 0.5 0.0 V: 0.5 0.5 0.0 U: 0.5 0.0 0.5 \Gamma: 0.0 0.0 0.0 Traceback (most recent call last): File "/home/asifem/miniconda3/bin/sumo-phonon-bandplot", line 8, in sys.exit(main()) File "/home/asifem/miniconda3/lib/python3.10/site-packages/sumo/cli/phonon_bandplot.py", line 719, in main phonon_bandplot( File "/home/asifem/miniconda3/lib/python3.10/site-packages/sumo/cli/phonon_bandplot.py", line 265, in phonon_bandplot plt = plotter.get_plot( File "/home/asifem/miniconda3/lib/python3.10/site-packages/sumo/plotting/init.py", line 58, in wrapper return get_plot(*args, **kwargs) File "/home/asifem/miniconda3/lib/python3.10/site-packages/sumo/plotting/phonon_bs_plotter.py", line 167, in get_plot _plot_lines(data, ax, color=color) File "/home/asifem/miniconda3/lib/python3.10/site-packages/sumo/plotting/phonon_bs_plotter.py", line 159, in _plot_lines range(len(data["distances"])), range(self._nb_bands) AttributeError: 'SPhononBSPlotter' object has no attribute '_nb_bands'. Did you mean: 'n_bands'?"

It was not before. Did anyone what this mean?

TheGreatDeadOne commented 10 months ago

I'm having the same problem.

` (base) gabriel@nexus$ sumo-phonon-bandplot --filename FORCE_CONSTANTS --kpoints "0.0 0.0 0.0, 0.5 0.0 0.0, 0.333333 0.333333 0.0, 0.0 0.0 0.0" --labels "Γ, M, K, Γ" --dos --width 5 --dim 3 3 1 Using supercell with dimensions: [[3. 0. 0.] [0. 3. 0.] [0. 0. 1.]]

Structure information: Space group number: 164 International symbol: P-3m1 Lattice type: hexagonal

k-point path: Γ -> M -> K -> Γ

k-points: Γ: 0.0 0.0 0.0 M: 0.5 0.0 0.0 K: 0.333333 0.333333 0.0 Γ: 0.0 0.0 0.0 Traceback (most recent call last): File "/var/home/gabriel/miniforge3/bin/sumo-phonon-bandplot", line 10, in sys.exit(main()) File "/var/home/gabriel/miniforge3/lib/python3.10/site-packages/sumo/cli/phonon_bandplot.py", line 720, in main phonon_bandplot( File "/var/home/gabriel/miniforge3/lib/python3.10/site-packages/sumo/cli/phonon_bandplot.py", line 265, in phonon_bandplot plt = plotter.get_plot( File "/var/home/gabriel/miniforge3/lib/python3.10/site-packages/sumo/plotting/init.py", line 62, in wrapper return get_plot(*args, **kwargs) File "/var/home/gabriel/miniforge3/lib/python3.10/site-packages/sumo/plotting/phonon_bs_plotter.py", line 167, in get_plot _plot_lines(data, ax, color=color) File "/var/home/gabriel/miniforge3/lib/python3.10/site-packages/sumo/plotting/phonon_bs_plotter.py", line 159, in _plot_lines range(len(data["distances"])), range(self._nb_bands) AttributeError: 'SPhononBSPlotter' object has no attribute '_nb_bands'. Did you mean: 'n_bands'?

`

utf commented 10 months ago

Thanks for raising this. I pushed a new version of sumo. If you update it should fix your problem.