electronic structure calculations with tight-binding density functional theory

Project Samples

Results of a tight-binding calculation with DFTBaby can be visualized graphically. Excited state calculations with TD-DFTB can be analyzed by looking at the absorption spectra, transition densities and difference densities..

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Categories

Chemistry

License

Other License

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Additional Project Details

Operating Systems

Linux

Intended Audience

Science/Research

User Interface

Qt

Programming Language

Fortran, Python, C

Related Categories

Fortran Chemistry Software, Python Chemistry Software, C Chemistry Software

Registered

2015-11-05
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