PhonTS

Published: July 15th, 2014

Category: News

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, authored by research scientist Aleksandr Chernatynskiy. is written in Fortran and runs on single processors or in parallel using MPI. PhonTS can be downloaded from phonts.mse.ufl.edu

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