Tight Binding Parameters by DFT mapping
Ab-initio to Tight-Binding Working Group
This resource belongs to the Ab-initio to Tight-Binding Working Group group.
- DFT For All
- Tight-Binding Band Structure Calculation Method
- Tight-Binding Analysis Tool
- General Tight-Binding Analysis Tool
- Computational Nanoscience, Lecture 19: Band Structure and Some In-Class Simulation: DFT for Solids
- Computational Nanoscience, Lecture 26: Life Beyond DFT -- Computational Methods for Electron Correlations, Excitations, and Tunneling Transport
- Computational Nanoscience, Lecture 17: Tight-Binding, and Moving Towards Density Functional Theory
Researchers should cite this work as follows:
Yaohua Tan; Michael Povolotskyi; Tillmann Christoph Kubis; Yu He; Zhengping Jiang; Gerhard Klimeck; Timothy Boykin (2012), "Tight Binding Parameters by DFT mapping," https://nanohub.org/resources/15173.