Description

Phonopy is an open source package of phonon calculations based on the supercell approach.

Phonon dispersion relation (band structure)
Phonon DOS and partial-DOS
Phonon thermal properties, free energy, heat capacity, and entropy
Phonon group velocity
Thermal expansion and heat capacity at constant pressure within quasi-harmonic approximation (phonopy-qha)
Mode Grüneisen parameters (gruneisen)
Non-analytical-term correction, LO-TO splitting (Born effective charges and dielectric constant are required.)
Animation of normal modes for crystal viewers
Characters of irreducible representations of normal modes
Crystal symmetry tools
Python module (Phonopy can be used in python script.)
Graphical plots

Required Modules