How to install BELLO

BELLO does not require any installation. It is based on python and it will use the following libraries:

Name		PySimpleGUI 	Numpy 	Pandas 	matplotlib 	scipy 	Seaborn
version 	4.56.0 		1.18.5 	1.3.5 	3.5.1 		1.7.2 	0.11.2 


How to use BELLO:

In the command window launch:
python BELLO\ GUI.py 

It will open the GUI where you have to insert the path to the xyz trajectory and the cell parameters.

The format of the xyz file is the standard one such as:

====================================================
40

 Si       41.842400       47.539600        6.383470
 Ge        6.467150       34.447601       30.579399
 Ge        3.785970       52.582901       39.092499
...
====================================================

One can use also multiple frames in the same file with the above format. Note that each frame must contain the same number of atoms and they must have the same cell parameters.

After setting the input parameters, to use BELLO, click on BELLO at the bottom of the window and the click the Calculate button.

The output files will be stored in the same folder of the BELLO executables.