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
.. Additional Periodicity Data
Examples
.. Parameter files
.. Installing additional DFTB.org parameter files
.. Third Order parameter files
References
.. DFTB: general description
.. DFTB: elements
Keywords
Keywords
-- page with Keywords
DFTB
GEOMETRY
MD
RESOURCESDIR
Restart
SYSTEM
TASK
UNITS
DFTB: elements
Dresden
DFTB.org
ThirdOrder
85.10.201.17
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