Phonon Transport Simulator

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Key Features

PhonTS is a lattice dynamics code that calculates thermal conductivity via the solution of the Boltzmann Transport Equation (BTE) for phonons.

PhonTS has built in classical potentials (Buckingham, Morse, Lennard-Jones, Tersoff, Stillinger-Weber) and interfaced to other codes in order to take advantage of other potentials (LAMMPS) or first principles electronic structure calculations (VASP, Quantum Espresso)

PhonTS is written in Fortran and runs on single processors or in parallel using MPI.

PhonTS is distributed as an open source code under the terms of the GPL. The current version can be downloaded here.