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dynaphopy

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Phonon Analysis from Molecular Dynamics Data

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::dynaphopy

Usage Tracking

1.19.0
1.18.0
1.17.16
1.17.15
1.17.14
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Downloads (Last 6 months): 0

Description

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.

About

Summary

Phonon Analysis from Molecular Dynamics Data

Last Updated

Apr 6, 2026 at 07:11

License

MIT

Total Downloads

315.4K

Version Downloads

318

Supported Platforms

macOS-arm64
macOS-64
linux-64