PPSTM (Probe Particle STM)

Code simulating various various STM techniques, especially for tilting tips (depending on ProkopHapala/ProbeParticleModel ) This is implementation of efficient and simple model for simulation of High-resolution scanning tunneling microscopy (STM). Normall STM simulations using Chen's approximattion is part of the code as well

BEWARE - latest numpy is probably causing problems within the code, the we have noticed problem with trying to run examples with periodic boundary conditions recently.
BEWARE - after repairing misteake in d-orbitals the results for FePc are different. We are investigating it.
currently developed Python3/C++ version of the PPSTM code:
- works in python3(.7 and higher), matplotlib, cpp>=4.4.8 (look at wiki instruction for problems with MAC compilation), PyQt5 (for GUI ),for some parts ASE and GPAW are imporatant;
- Part of the code regarding simulations with tilting tips is depending on the ProbeParticleModel developed by Prokop Hapala and co. (https://github.com/Probe-Particle/ppafm), you can easilly install it with pip install ppafm>=0.2.0a3.

For easy introduction to this code and its functionalities, try Graphic User Interface (GUI) or PPSTM_simple.py script.

Documentation is here at Wiki.

It can also simulate IETS images of molecules, if the imaging mechanism is driven by the amplitude of the IETS peak.

Probe-Particle / PPSTM

readme

PPSTM (Probe Particle STM)

References (should be always cited)

References (should be cited for the relaxed scans)

References (should be cited if IETS or STM-d orbitals were included)