We explain features of quantum mechanical SPM image simulator DFTB in this page.
Click the following word "DFTB" and you can jump to the web page explaining about calculation modes of the DFTB solver.

DFTB: Quantum Mechanical SPM image simulator

The features are ...

It is possible to do simulation based on the quantum mechanical method.

The solver has functions to simulate AFM, STM, STS, and KPFM on a variety of samples with various elements such as organic compounds, inorganic compounds, and metals.

Density Functional based Tight Binding method is adopted.

Calculation time is greatly reduced in comparison with that of ab initio calculation.

It is also possible to calculate an AFM image for an organic compound upon an inorganic material surface or upon a metal substrate.


Please look at the following link for the knowledge of how to make data of a tip and that of a sample.

SetModel, ChemSketch: software to create data of a tip and that of a sample


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