Elastic2D

A few simple pre- and post-processing scripts to facilitate two-dimensional elastic constants calculations via the stress-strain method.

• elastic2D_tools.py contains the main script that only requires Numpy to generate the strained lattices and post-process the outputs.
• vasp_elastic2D.py is an example of how the contents of elastic2D_tools.py can be used to compute and post-process elastic constants with VASP. This script makes use of Pymatgen for setting up the VASP calculations.