Phonon Transport Simulator
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
- 26/05/15 PhonTS version 1.1.5 is available in the download section, which corrects a few bugs, namely in the calcaulations of the numerical derivatives of of the non-cubic cells.
- 30/03/15 PhonTS version 1.1.4 is available in the download section, which includes QE example calculation and corrects a few minor bugs.
- 30/03/15 Paper entitled "Phonon Transport Simulations (PhonTS)" published in Computer Physics Communications is now available online as a preprint here . We suggest citing this paper from now on for publications employing PhonTS.
- 02/02/15 PhonTS version 1.1.3 is available in the download section, corrects for a few small bugs in main BTE solver routine, which in rare instances might cause "NaN" to appear for thermal conductivity.
- 13/10/14 PhonTS version 1.1.2 is available in the download section, corrects for a few small bugs in supercell construction and atom name recognitions.
- 08/07/14 PhonTS version 1.1.1 is available in the download section, corrects a bug in the Makefile, which caused compilation errors in later versions of the ifort compiler.
- 06/06/14 PhonTS version 1.1.0 is available in the download section, now with the variational solution of the BTE and other minor improvements.
- 27/02/14 PhonTS version 1.0.3 is available in the download section, correcting for some input/output bugs and other minor improvements.
- 20/12/13 PhonTS version 1.0.2 is available in the download section, correcting for core-shell model bug and other minor improvements.
- 30/10/13 PhonTS version 1.0.0 is available in the download section now.
- 24/10/13 Webpage started, PhonTS version 1.0.0 will be available soon!