Update README.md

# GB_code

This python package helps you create orthogonal grain boundary supercells for atomistic calculations. The code is based on the 

coincident site lattice (CSL) formulations for cubic materials (sc, bcc, fcc, diamond). I inted to extend it to hcp structures soon.

coincident site lattice (CSL) formulations for cubic materials (sc, bcc, fcc, diamond). I intend to extend it to hcp structures soon.

# Structure

There are two main scripts: 

There are two main scripts: csl_generator and gb_generator which you need to use in this order to produce the final gb structure.

in this description I will explain the steps to use the code in the Terminal and I have also attached two jupyter notebooks that

describe how the code be can be accessed and used in the notebboks by examples.

ko