atomate2.common.jobs.phonons#
Jobs for running phonon calculations.
Functions
Analyze the phonon runs and summarize the results. |
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Generate displaced structures with phonopy. |
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Determine supercell size with given min_length. |
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Job that computes total DFT energy of the cell. |
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Run phonon displacements. |
Classes
Maker to perform a static calculation as a part of the finite displacement method. |
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bool(x) -> bool |
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Convert a string or number to a floating point number, if possible. |