Dear Quantum Espresso developers and users, I am happy to announce here the first version of the ElaStic code is available. ElaStic is an open-source Python implementation for the calculations of elastic constants of crystalline materials. It can be used to obtain full second-order elastic tensors for all crystal lattice types and third-order elastic tensors for cubic, hexagonal, and rhombohedral crystals. The package has a rich set of features for transforming the elastic constants into any Cartesian coordinate system and computing elasticmoduli with different averaging methods. ElaStic is interfaced with the density-functional codes exciting, WIEN2k, and *Quantum Espresso* for computing the energy and stress matrices of deformed crystals. ElaStic can be downloaded from http://exciting-code.org/ elastic together with its documentation and recently published paper.
Best Wishes, Rostam Golesorkhtabar -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130619/38f0b288/attachment.html