ALM

Version 2.0.0 Dev

Introduction

This is a software for calculating harmonic and anharmonic interatomic force constants in solids and molecules.

Features

• 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++

License

Copyright (c) 2014 Terumasa Tadano This software is released under the MIT license. For license rights and limitations, see LICENSE.txt file.

Author

• Terumasa Tadano
• Atsushi Togo