Phonon Mode Explorer
Select a bundled calculation, inspect its structure and dispersion, and animate every available eigenvector directly from the band plot.
Textbook two-atom dispersion: three acoustic and three optical branches, with LO–TO splitting at Γ from the Born charges 9 bundled fixtures
NaCl rock salt
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. Larger fixtures store eigenvectors only at every second or third q-point to keep downloads small; clicking a band between them snaps to the nearest q-point that has one.
Drop in phonopy output
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.
Band dispersions were recomputed with phonopy from PhononDB (NIMS, PBEsol, CC BY 4.0) force constants and Born charges; MgB2 from the phonopy example set (BSD-3, VASP PBE). α-quartz data: Phonopy-Spectroscopy; CO2 is a synthetic fixture. Read the IR/Raman and phonon data guide for parsing and physics details.