University of California, Santa Barbara, CA USA

August 21 - September 3, 2005

Monday, August 22, 2005

- Density Functional Theory I : R. Martin
- Atoms and pseudopotentials (basics) : S. Narasimhan
- Description of the OPIUM pseudopotential package : E. Walter and A. Rappe

- Density Functional Theory II : R. Martin (with complementary material)
- Numerical techniques (Kohn-Sham equations, SCF, geometry) : S. Narasimhan
- Plane Waves/k points : U. Waghmare
- The ABINIT package and web site : How to ... ? : Masayoshi Mikami

- Density Functional Perturbation Theory : basics : X. Gonze
- Response to atomic dusplacements and static electric field

(zone-center phonons, Born effective charges...) : Ph. Ghosez - Non Linear responses (Electro-optic effect, Raman cross-section ...) : Ph. Ghosez

- Phonon bands, interatomic force constants and thermodynamic quantities : U. Waghmare
- An introduction to Berry phases : U. Waghmare
- Finite Electric Field : I. Souza
- Parallelism : Y. Pouillon

- Electron-phonon interaction : M. Verstraete
- Spin-polarized systems, spin-orbit coupling : G. Zérah
- Exploring the ABINIT sources : Y. Pouillon

- Wavefunction and density analysis (DOS/Bader/Angular momemtum) : M. Côté and M. Verstraete
- Projector-Augmented Wave (PAW) basics : M. Torrent and F. Jollet

- PAW generator : M. Torrent and F. Jollet
- The implementation of the PAW method in ABINIT : M. Torrent and F. Jollet

- GW approximation : theory and implementation : V. Olevano
- linear and non-linear optics : S. Sharma
- Advanced application I : G. Zérah

- Time-dependent density functional theory (optical response of clusters) : X. Gonze
- Response to strain perturbation (elastic constants, piezoelectricity) : D. Hamann
- Advanced application II : M. Côté
- Advanced application III : M. Verstraete