[Pw_forum] ElaStic is Available
r.golesorkhtabar at gmail.com
Wed Jun 19 17:13:13 CEST 2013
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.
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