Monday, May 12, 2014
Time | Event | |
08:00 - 08:25 | Breakfast | |
08:25 - 08:30 | Welcome address from the organizers - Razvan Caracas | |
08:30 - 10:00 | Lecture 1a (beginners) : Introduction to DFT, plane-waves, pseudopotentials - Matteo Giantomassi | |
08:30 - 10:00 | Lecture 1b (advanced) : Introduction to the PAW approach - Marc Torrent | |
10:00 - 10:30 | Coffee break | |
10:30 - 12:00 | Lecture 2a (beginners) : Introduction to DFT, plane-waves, pseudopotentials - Matteo Giantomassi | |
10:30 - 12:00 | Lecture 2b (advanced) : Generation of PAW potential and basis - Marc Torrent & François Jollet | |
12:00 - 13:30 | Lunch | |
13:30 - 15:30 | Hands-on 1a (beginners): On-line basic lessons 1 (on H2 molecule) - Matteo Giantomassi & Eric Bousquet | |
13:30 - 15:30 | Hands-on 1b (advanced): On-line lesson on PAW method (PAW1) - Marc Torrent + François Jollet + Joe Zwanziger | |
15:30 - 16:00 | Coffee break | |
16:00 - 18:00 | Hands-on 2a (beginners): On-line basic lessons 2 (on H2 molecule) - Matteo Giantomassi & Eric Bousquet | |
16:00 - 18:00 | Hands-on 2a (advanced): On-line lesson on PAW method (PAW2 - generation of atomic data files) - François Jollet + Marc Torrent + Joe Zwanziger | |
18:00 - 19:30 | POSTERS |
Tuesday, May 13, 2014
Time | Event | |
08:30 - 09:30 | Lecture 3a (beginners) : Interactive techniques - Xavier Gonze | |
08:30 - 09:30 | Lecture 3b (advanced) : DFT+U and spin orbit - Marc Torrent | |
09:30 - 10:00 | Coffee break | |
10:00 - 11:00 | Lecture 4 (everybody) : Polarization, Berry phase and calculations in finite electric fields - Joe Zwanziger | |
11:00 - 12:00 | Lecture 5 (everybody) : Basics of density functional perturbation theory - Gian-Marco Rignanese | |
12:00 - 13:30 | Lunch | |
13:30 - 15:30 | Hands-on 3 (beginners): On-line basic lesson 3 (silicon) - Xavier Gonze + Philippe Ghosez + Gian-Marco Rignanese | |
13:30 - 15:30 | Hands-on 3 (advanced) : DFT+U & free discussion - Marc Torrent + François Jollet + Matteo Giantomassi | |
15:30 - 16:00 | Coffee break | |
16:00 - 18:00 | Hands-on 4 (everybody) : On-line lesson on polarization and finite electric fields - Joe Zwanziger + Eric Bousquet + Philippe Ghosez | |
18:00 - 19:30 | POSTER Session |
Wednesday, May 14, 2014
Time | Event | |
08:30 - 09:30 | Lecture 6 (everybody) : Linear responses to electric fields and atomic displacements - Xavier Gonze | |
09:30 - 10:00 | Coffee break | |
10:00 - 11:00 | Lecture 7 (everybody) : Phonon dispersion curves, interatomic force constants and thermodynamic properties. - Philippe Ghosez | |
11:00 - 12:00 | Lecture 8 (everybody) : Phonon symetries + dielectric response - Gian-Marco Rignanese & Matteo Giantomassi | |
12:00 - 13:30 | Lunch | |
13:30 - 15:30 | Hands-on 5 (everybody): On-line lessons on response-function 1 - Xavier Gonze + Philippe Ghosez + François Jollet | |
15:30 - 16:00 | Coffee break | |
16:00 - 18:00 | Hands-on lesson 6 (everybody): On-line lessons on response-function 2 - Gian-Marco Rignanese + Philippe Ghosez + Matthieu Verstraete | |
19:30 - 22:30 | ABINIT social dinner |
Thursday, May 15, 2014
Time | Event | |
08:30 - 09:30 | Lecture 9 (everybody): Elastic and piezoelectric responses - Razvan Caracas | |
09:30 - 10:00 | Coffee break | |
10:00 - 11:00 | Lecture 10 (everybody) : Electron-phonon coupling - Matthieu Verstraete | |
11:00 - 12:00 | Lecture 11 (everybody) : Static non-linear optical responses (Raman susceptibilities, non-linear optical susceptibilities, electro-optic tensor) - Razvan Caracas | |
12:00 - 13:30 | Lunch | |
13:30 - 15:30 | Hands-on lesson 7 (everybody) : elastic and piezoelectric properties - Razvan Caracas + Eric Bousquet + Marc Torrent | |
15:30 - 16:00 | Coffee break | |
16:00 - 18:00 | Hands-on lesson 8 (everybody): electron-phonon interaction - Matthieu Verstraete + Matteo Giantomassi + Xavier Gonze |
Friday, May 16, 2014
Time | Event | |
08:30 - 10:00 | Lecture 12 (everybody) : Magnetism, magnetic materials, orbital magnetism, magnetic field effect - Eric Bousquet | |
10:00 - 10:30 | Coffee break | |
10:30 - 12:00 | Hands-on lesson 9 (everybody) : static non-linear properties | |
12:00 - 13:30 | Lunch | |
13:30 - 15:30 | Hands-on lesson 10 (everybody) : spin + Free discussion with the participants on their own difficulties |