Thermal Conductivity Plugins for LAMMPS

  • Thermal conductivity with isotopes and quantum correction
  • Velocity autocorrelation and Phonon Density of States using multiple initial conditions
  • Specific heat from Phonon DOS as a function of temperature

Thermal conductivity tools is a series of plugins for thermal properties — velocity autocorrelation functions, phonon density of states, specific heat and thermal conductivity from MD using LAMMPS.
Documentation download links
PDF of quick start guide can be downloaded here
Frequently Asked Questions
For frequently asked questions, please click here

Published on September 11th, 2017

Last updated on July 31st, 2023