Welcome to the very first Manual for the wave function propagtaion module

This manual will decribe the methodology a user should apply
when using this module. Only then he/she can benefit the best
from what this module can do.

Brief introduction to the module structure

The module contains several sub-modules that each one of them
has a different functionallity that contibutes to the upper goal
which is the wave-function propagation.

Here is a short list for module’s sub-modules:

1. Stage_1.py
2. Stage_2.py
3. Locpot_class.py
4. Help_function_library_yair.py
5. Structure_vis.py
6. Main_execution.py

In the next section, each one of the sub-modules will be described
with more details about its capalities, and about its role in the bigger work-flow of the wave-function propation module

Stage_1

Stage_1 sub-module was built mainly for performing grid-density convergence
and for calculating and determing the initial parameters of the initial wave-function
of an electron occupying the bottom of the conduction band. In this part, we have to supply the algorithm with the initial total energy of the electron
$\E_0$ in units of Joule