How to download and install Elastic code for elastic calculations

 

Elastic is a code developped by Paweł T. Jochym

Elastic is a set of python routines for calculation of elastic properties of crystals (elastic constants, equation of state,sound velocities, etc.)

 For more information check the manual

 

Installing

 Before installing the code we need to installing the following:

you need to get the conda package manager ( installit from here )

conda create -n elastic  
conda activate elastic

(elastic) conda install gcc

(elastic) conda install numpy
(elastic) conda install spglib
(elastic) conda install matplotlib
(elastic) conda install ase

(elastic) conda install -c conda-forge elastic
 

Testing the installation

The simplest verification if everything works is just using the elastic utility to see the help screen:

elastic --help

or version of the package:

elastic --version

Additionally the whole package has a set of unittests based on hypothesis package.  The tests are self-contained and do not require any external packages like DFT programs (e.g. VASP). You can run these tests by executing following
command in the source directory:

python -m unittest discover -s test -b