a full-potential all-electron package implementing linearized augmented planewave methods


This software package allows you to obtain full second-order elastic tensors (elastic constants) for all crystal lattice types and third-order elastic-constants for cubic, hexagonal, and rhombohedral crystals. This code is written in the Python programming language and uses the SGROUP tool as symmetry and space-group calculator and utilizes the density-functional codes exciting, Wien2k, and Quantum Espresso for energy and stress calculations.


How to cite ElaStic:

R. Golesorkhtabar, P. Pavone, J. Spitaler, P. Puschnig, and C. Draxl, ElaStic: A tool for calculating second-order elastic constants from first principles, Comp. Phys. Commun. 184, 1861 (2013). DOI