pymatgen-phonon

What problem does it solve?

Analyzes vibrational properties from phonon calculations for materials science research, enabling streamlined interpretation of phonon data.

Core Features & Use Cases

• Load phonon band structures, density of states, Gruneisen parameters, and IR spectra from Phonopy outputs or YAML.
• Plot phonon dispersions, DOS, and spectra, and export simple derived data for publications.
• Use Case: researchers can quickly transform Phonopy output into publication-ready plots and summaries for defect or phase studies.

Quick Start

Run the 2016-09-25-Plotting_phonon_bandstructure_and_dos.py script to generate phonon band structure and DOS plots.