elphondb.py 3d plots for the gkkp added#92
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Petru-Milev wants to merge 3 commits intoyambo-code:bug-fixesfrom
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elphondb.py 3d plots for the gkkp added#92Petru-Milev wants to merge 3 commits intoyambo-code:bug-fixesfrom
Petru-Milev wants to merge 3 commits intoyambo-code:bug-fixesfrom
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I have added plotting of elph databases for the case of 3D k-grids. It will generate a file with subplots for each of the "layers" of the selected axis. The old 2D plotting is preserved.
The call to the function is done by
yelph.plot_elph(g_of_x, s=s, threeD=True, axis='z', plt_cbar=False, marker='H', cmap=cmap)
I tested it on Python 3.11.11, yambopy v0.6, on Tirant cluster (Univ. of Valencia cluster). The material was MoS2, with a grid of 12x12x2.
The code was generated with the assist of chatgpt, but I checked it to not introduce any errors.
Example of the output is attached to this request.
(additionally i have similar scripts for plotting the ibz/bz for the case of k-grid in 3D, but they work more as wrappers to the original 2D plotting functions, if needed I could submit them as well).
gamma_phonon_8_band_13_14_q.pdf
gamma_phonon_4_band_13_14_k.pdf