This is a software for calculating harmonic and anharmonic interatomic force constants in solids and molecules.
- Extraction of harmonic and anharmonic force constants based on the supercell approach
- Compressive sensing methods for an efficient and accurate estimation of force constants (LASSO, Elastic net)
- Applicable to any crystal structures and low-dimensional systems
- Accurate treatment of translational and rotational invariance
- Interface to VASP, Quantum-ESPRESSO, OpenMX, xTAPP, and LAMMPS codes
- API for python and C++
Copyright (c) 2014 Terumasa Tadano This software is released under the MIT license. For license rights and limitations, see LICENSE.txt file.
- Terumasa Tadano
- Atsushi Togo