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pre-commit-ci[bot] committed Feb 5, 2024
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Showing 1 changed file with 14 additions and 14 deletions.
28 changes: 14 additions & 14 deletions tutorials/3-nonradiative-capture.ipynb
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"# Simulation of non-radiative capture\n"
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"## Read a single Harmonic Defect\n",
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"Note that the `defect_band` attribute of `HarmonicDefect` consists of multiple states presented as `(iband, ikpt, ispin)` index tuples, if `defect_band` was not provided to the constructor, the `relaxed_index` entry in the directory list will be checked for a Procar file, which will be parsed to give the \"best guess\" of the defect state in the band structure.\n",
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"### Potential energy surface\n",
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"From the eigenvalue file:\n",
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"## Combined two HarmonicDefects and a series of WSWQ\n",
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