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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: _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 various examples. Have a look at: 

[Usage_of_GB_code.ipynb](./Usage_of_GB_code.ipynb).

There are two main scripts: [_csl_generator_](./csl_generator.py) and [_gb_generator_](./csl_generator.py) 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_ ([Usage_of_GB_code.ipynb](./Usage_of_GB_code.ipynb), [Dichromatic_pattern_CSL_.ipynb](./Dichromatic_pattern_CSL_.ipynb)) which

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

# Usage

To pick a grain boundary (GB) 5 degrees of freedom need to be fixed: rotation axis, rotation angle and GB plane orientation.

We start by choosing only an axis, say a low index [1, 1, 1] and list the possibilities for the angle (sigma). Once you pick

this a CSL minimal cell will be created and you can see a list of possible GB plane orientations within the CSL that you pick

from. In the jupyter notebooks, , example criteria have been shown to pinpoint the boundary plane of interest.

from. In the jupyter notebooks, [Usage_of_GB_code.ipynb](./Usage_of_GB_code.ipynb), example criteria have been shown to help pinpoint 

the boundary plane of interest.