MONDAY, 10 May |
|||
| 10:00 | Registration and coffee | ||
SESSION I : INTRODUCTIVE SESSION | |||
(Chair : D.C. Allan) | |||
| 10:30 | Gilles ZERAH | ||
| Welcome | |||
| 10:40 | Xavier GONZE (15'+5') | ||
| ABINIT : 3.5 years of GNU GPL Licence | |||
| 11:00 | Fabien BRUNEVAL (25'+10') | ||
| Electronic Excitations of Cu2O within GW Approximation | |||
| 11:35 | Nicola SPALDIN (30'+10') | ||
| Organization of software for the computational design of new materials | |||
| 12:15 | Lunch | ||
SESSION II : NEW FEATURES: GROUND STATE | |||
(Chair : D.R. Hamann) | |||
| 14:00 | Marc TORRENT (30'+10') | ||
| PAW Atomic Data Generation for ABINIT | |||
| 14:40 | François JOLLET (30'+10') | ||
| Implementation of the PAW formalism in ABINIT : present features and perspectives | |||
| 15:20 | Coffee Break | ||
| 15:50 | Matthieu VERSTRAETE (15'+5') | ||
| DOS and partial DOS in ABINIT: angular momentum projection and the tetrahedron method | |||
| 16:10 | Gilles ZERAH (30'+10') | ||
| Experimentation with parareal molecular dynamics and Thomas-Fermi as a predictor | |||
| 16:50 | Christophe AUDOUZE (20+10') | ||
| Parallel research of numerous eigenvalues in ABINIT | |||