Table of Contents

DFTB Manual
Table of Contents
Introduction
Release 2012
DFTB-GUI
Input
Specification of the System
Specification of the computational Task
Changing the default Units
Setting DFTB Calculation details
Geometry optimization
Restart
Molecular Dynamics
Available Thermostats
Additional Periodicity Data
Examples
Parameter files
Installing additional DFTB.org parameter files
Third Order parameter files
References
DFTB: general description
DFTB: elements
Dresden
DFTB.org
ThirdOrder
Keywords

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