Manuals

Consult these for the detailed description of all possible features, keywords and options.

Recipes

Have a look at the recipes, if you are new to DFTB+, or if you look for an overview about a specific topic or for some useful tricks.

Tutorial

Note: As the tutorial below is based on an older (non-LGPL licensed) version of DFTB+, it underlies certain restrictions on usage and distribution. We will update the tutorial as soon as the transport functionality has been integrated into the LGPL-code.

DFTB+ classroom live ISO image

We offer a live Linux ISO image for you to try the tutorial immediately. This contains a classroom version of DFTB+ and some parametrization data (which only works with this version of the code).

You will find some instructions in the tutorial below on how to use the live image.

Tutorial: Electronic Structure and Electron Transport in 2D Carbon Materials

Electronic structure and non-equilibrium Green's function transport calculations of graphene and perfect and defective carbon nanoribbons. Visualization of band structures, density of states, defect wave-functions, transmission, electrostatic potential, etc.