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Use for phonon band structure/DOS, Gruneisen, and IR spectra analysis with pymatgen.phonon and phonopy-compatible outputs.
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| name | pymatgen-phonon |
| description | Use for phonon band structure/DOS, Gruneisen, and IR spectra analysis with pymatgen.phonon and phonopy-compatible outputs. |
| metadata | {"short-description":"pymatgen phonon"} |
Pymatgen phonon tools analyze phonon band structures, DOS, Gruneisen parameters, and IR spectra, often from Phonopy outputs.
Ensure pymatgen and phonopy are installed in your Python environment:
pip install pymatgen phonopy
# or
conda install -c conda-forge pymatgen phonopy
Example usage pattern:
from pymatgen.phonon.bandstructure import PhononBandStructure
# your code here
Executable examples in the scripts/ directory:
2016-09-25-Plotting_phonon_bandstructure_and_dos.py - Phonon band structure and DOS plotting.Detailed reference material (load as needed):
references/phonon-workflows.md - Phonon workflows and examplesreferences/docs/ - Local API docs for pymatgen.phonon