Elastic
=======
[](https://doi.org/10.5281/zenodo.593721)
[](https://elastic.readthedocs.io/latest)
Elastic is a set of python routines for calculation of elastic
properties of crystals (elastic constants, equation of state, sound
velocities, etc.). It is a third version of the in-house code I have
written over few years and is implemented as a extension to the
[ASE](https://wiki.fysik.dtu.dk/ase/) system. The code was a basis for
some of my publications and was described briefly in these papers. The
code was available to anyone, presented at the [Workshop on ab initio
Calculations in Geosciences](http://wolf.ifj.edu.pl/workshop/work2008/)
and used by some of my co-workers. This code is a re-implementation of
elastic as a module for the ASE.
The on-line documentation is placed on
[ReadTheDocs](http://elastic.rtfd.org/) or [Elastic
website](http://wolf.ifj.edu.pl/elastic/). You can obtain the
[documentation as a PDF
file](https://media.readthedocs.org/pdf/elastic/stable/elastic.pdf) as
well.
Installation
------------
The installation is simple if you are using conda package menager:
conda install -c conda-forge elastic
If you need a more elaborate [installation
instruction](http://nbviewer.ipython.org/github/jochym/qe-doc/blob/master/Installation.ipynb)
for computing environment to work with ASE - I have written just such a
document. It is a first in the series of tutorials of this subject and
you can find it under nbviewer link above.
The project is open and I welcome patches, ideas and other feedback.
Acknowledgments
---------------
In the past the project was partially supported by:
- Department of Computational Material Science, Institute of Nuclear
Physics, PAN, Poland
- Department of Engineering, University of Saskatchewan, Canada
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