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