dynaphopy
Phonon Analysis from Molecular Dynamics Data
Phonon Analysis from Molecular Dynamics Data
To install this package, run one of the following:
Software to calculate crystal microscopic anharmonic properties from molecular dynamics (MD) using the normal-mode-decomposition technique. These properties include the phonon frequency shifts and linewidths, as well as the renormalized force constanst and thermal properties by using quasiparticle theory. This code includes interfaces for MD outputs from VASP and LAMMPS. PHONOPY code is used to obtain harmonic phonon modes.
Summary
Phonon Analysis from Molecular Dynamics Data
Last Updated
Sep 29, 2025 at 14:31
License
MIT
Total Downloads
293.5K
Supported Platforms
GitHub Repository
https://github.com/abelcarreras/DynaPhoPyDocumentation
http://abelcarreras.github.io/DynaPhoPy/