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dump2phonon

Automatically exported from code.google.com/p/dump2phonon

elphbolt

A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.

flare

An open-source Python package for creating fast and accurate interatomic potentials.

fourphonon

Our paper has been accepted at Comput Phys Commun and is available online: https://doi.org/10.1016/j.cpc.2021.108179. We highly recommend you put your related questions in 'Discussions' section.

jekyll-text-theme

💎 🐳 A super customizable Jekyll theme for personal site, team site, blog, project, documentation, etc.

mace

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

md-greenkubo-thermal-conductivity

The thermal conductivity of a molecular dynamics system is calculated using the Green-Kubo fluctuation Dissipation Theorem

modecode

Massively parallel vibrational mode calculator.

nanokappa

Python code to simulate phonon transport in nanodevices using the Monte Carlo method from ab-initio phonon data.

ncrystal

NCrystal : a library for thermal neutron transport in crystals and other materials

pgm

Calculate thermodynamic properties of matter using phonon gas model (PGM)

phono3py-power-tools

Tools for Phono(3)py power users.

phonon-sed

Python codes to calculate phonon spectral energy density from LAMMPS velocity data.

python-sscha

The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).

spectrumfitter

Python package for fitting dielectric/Raman/IR spectral data with an arbitrary number of different lineshape functions

sqe_phonon

Phonon dynamical structure factor calculation

thermaltools

LAMMPS plugins for thermal conductivity and density of states calculation

vacf_pdos