Phono3py: Anharmonic Lattice Dynamics
JSON →Phono3py is a Python package for calculating anharmonic lattice dynamics properties, such as lattice thermal conductivity and phonon lifetimes, using a supercell approach and third-order force constants. It is commonly used in conjunction with first-principles calculation codes (e.g., VASP, Quantum ESPRESSO) that provide the necessary force information. The current version is 3.30.1. It maintains an active development and release cadence, often in sync with its harmonic counterpart, Phonopy.
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API endpoints
full doc /v1/registry/phono3py
install /v1/registry/phono3py/install
compatibility /v1/registry/phono3py/compatibility