deMon-Nano
Web page : http://demon-nano.ups-tlse.fr
deMon-Nano is the Density Functional Tight Binding (DFTB) fork of the DFT code deMon.
People involved at LCPQ
- Jérôme Cuny
- Léo Dontot
- Antonio Gamboa
- Christophe Iftner
- Kseniia Korchagina
- Luiz Fernando Oliveira
- Mathias Rapacioli
- Anthony Scemama
- Aude Simon
Related Papers
A Sparse SCF algorithm and its parallel implementation: Application to DFTB
A. Scemama, N. Renon, M. Rapacioli, Journal of Chemical Theory and Computation, 10(6), pp 2344–2354, 2014