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.