In the folder NumericalExperiments you can find all the data. The different numerical experiments are named according to the system, hence pent_1layer is a one layer system of pentacene.

In every experiment folder you will find a list of .dat files. They contain all the energy levels of the different bands. They are ordered as follows, the number after the underscore in the file name is the location along the K-path (e.g. R-G-V). Zero means the start and the largest number is the end of the K-path. Inside the .dat file there is also a K-path but only in the z direction.

In this way you get a "sheet" of kpoints along the K-path specified and from this we obtain the projected density of states. Which happens with some analysis scripts.

There is also a folder in NumericalExperiments named vaccuum_energies with the data to create the potential graphs to align the vaccuum energies. Under Analysis you can find a script energy_shifts.py that will plot all of them aligned.

In the folder Analysis I have collected some python scripts that help you with converting the data to pictures. It is probably best to just run them and you can see what they will do. There are comments in the python files that explain what happens when.

In the folder RawData is the data from the arres measurements used to make the reference plot.