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Manuals

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

Recipes

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

Tutorial

Self contained hands-on tutorial covering various topics in computational materials science using DFTB+. Probably the best way to get started using DFTB+.

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). It can be downloaded without registration, but you are entitled to use it for educational purposes only. For your research use, please download the regular version of DFTB+ and the SK parameters.

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.