exciting

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

ElaStic

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.

Download the newest ElaStic package.
Link to tutorial explaining the use of ElaStic within exciting.

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