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 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
Copyright
Terms of Use
Privacy Policy
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