Program
| 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 |
|
| 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 |
|
| 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 |
|
| 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 |
|
| 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 |
|
|
