Interactive lattice dynamics

Phonon Mode Explorer

Select a bundled calculation, inspect its structure and dispersion, and animate every available eigenvector directly from the band plot.

YAML
🎞️ NaCl-Gamma-X-band.yaml
🎞️ CO2-gamma.yaml.gz
🎞️ NaCl-gamma.yaml.gz
🎞️ SiO2-gamma.yaml.gz

Interactive bands, spectra, and atomic motion · first-principles fixture 4 bundled fixtures

Mode 4 5.0527 THz q = [0, 0, 0] NaCl-Gamma-X-band.yaml
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No structure provided

What you are seeing

NaCl · Γ → X

The selected eigenvector is rendered in real space using phonopy mass scaling and Bloch phases. Γ-only files open directly in the spectrum and mode selectors because they do not contain a dispersion path.

Bring your own calculation

Drop in phonopy output

Choose an animated fixture, then drop a single band.yaml, qpoints.yaml, or mesh.yaml file onto the explorer. Gzip-compressed variants work too. Files without a band path remain explorable through the q-point and mode controls.

Animated NaCl data: PhononDB PBEsol, DOI 10.48505/nims.4197. α-quartz data: Phonopy-Spectroscopy. Read the IR/Raman and phonon data guide for parsing and physics details.