Mathematica notebooks with ideas and formula derivations for PP-STM code
The most important file is: Chen_Rules_and_aditional_checks.nb which contains derivation of Chen Rules
For future development some ideas are in: Note_on_bloch_theorem.nb
From my point of view and for d-orbitals on sample implementation is good to know also: DvsSorb_ratio_Aims_plot.nb
In case of any questions you can contact me on: ondrej(dot)krejci(at)aalto(dot)fi
Ondrej