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Tools

Here you find some tools, which could help you in your work with DFTB+. Please note, that the tools provided here are not part of the official DFTB+ package. Each of them is written by some volunteer(s) and is provided on an "as-is" basis. If you have any questions or problems with some of the tools, or you think having found a bug, please contact the maintainer directly. Similarly, the conditions for use and distribution for the tools are covered by individual licenses. See the appropriate web page and source code for details.

Tool

Short description

dptools

Scripts to ease the life of DFTB+ users. (Conversion tools, plotting utilities.)

waveplot

Plotting molecular orbitals, charge distributions, charge differences, etc. using the output from DFTB+. Additionally it contains a tool to manipulate (add, subtract, etc.) cube files.

geostats

Calculating basic statistics on molecular (and solid state) geometries, simple editing and file format conversion.

nanocut

User friendly program to create clusters, wires and slabs from crystalline structures.