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
- Applicable to any crystal structures and low-dimensional systems
- Accurate treatment of translational and rotational invariance
- Interface to VASP, Quantum-ESPRESSO, and xTAPP codes
- C++ compiler
- LAPACK libarary
- MPI library
- Boost C++ library
Copyright (c) 2014, 2015, 2016 Terumasa Tadano This software is released under the MIT license. For license rights and limitations, see LICENSE.txt file.
Terumasa Tadano