ALAMODE is designed for estimating harmonic and anharmonic properties of lattice vibrations (phonons) in solids. The code is written in C++ and MPI/OpenMP parallelization is implemented.
git repository : https://github.com/ttadano/alamode
Documentation : http://alamode.readthedocs.org/en/latest/
- Extract harmonic and anharmonic (cubic, quartic, ...) force constants
- Phonon dispersion, phonon DOS
- Thermodynamic functions (vibrational entropy, free energy, etc.)
- Grüneisen parameter
- Phonon linewidth due to 3-phonon interaction
- Phonon frequency shift
- Lattice thermal conductivity
Be the first to post a review of ALAMODE!