| Time |
Speaker |
Title |
| Monday, July 28, 2008 |
| 7:00 am |
Carrillo Dining Commons |
Breakfast |
| 8:30 am |
Wentzcovitch |
Introduction |
| 8:45 am |
Dahlke |
Fundamentals of density functional theory; Hartree-Fock theory[Podcast][Aud][Cam] |
| 10:30 am |
Break |
| 10:45 am |
Dahlke |
Exchange correlation functionals [Podcast][Aud][Cam] |
| 12:00 pm |
Carrillo Dining Commons |
Lunch |
| 1:15 pm |
de Gironcoli |
Van der Waals interaction [Podcast][Aud][Cam] |
| 2:15 pm |
Wentzcovitch |
Plane-wave pseudopotential calculations [Podcast][Aud][Cam] |
| 3:00 pm |
Break |
| 3:30 pm |
Cococcioni |
LSDA and LSDA+U [Podcast][Aud][Cam] |
| 5:00 pm |
Carrillo Dining Commons |
Dinner |
| Tuesday, July 29, 2008 |
| 7:00 am |
Carrillo Dining Commons |
Breakfast |
| 8:30 am |
Kokalj and de Gironcoli |
PWScF installation and hands-on examples [Podcast][Aud][Cam] |
| 10:30 am |
Break |
| 10:45 am |
Kokalj |
Post-processing, pwgui, xcrysden ... [Podcast][Aud][Cam] |
| 12:00 pm |
Carrillo Dining Commons |
Lunch |
| 1:15 pm |
Cococcioni and Kokalj |
PWScf examples including LDA+U [Podcast][Aud][Cam] |
| 3:00 pm |
Break |
| 3:30 pm |
Cococcioni and Kokalj |
PWScf examples including LDA+U [Podcast][Aud][Cam] |
| 5:15 pm |
Carrillo Dining Commons |
Dinner |
| 7:00 pm |
Discussion with tutorial instructors |
| Wednesday, July 30, 2008 |
| 7:15 am |
Carrillo Dining Commons |
Breakfast |
| 8:30 am |
de Gironcoli and Kokalj |
Density functional perturbation theory and phonons; Phonon hands-on examples[Podcast][Aud][Cam] |
| 10:30 am |
Break |
| 10:45 am |
de Gironcoli and Kokalj |
Phonon hands-on examples [Podcast][Aud][Cam] |
| 12:00 pm |
Carrillo Dining Commons |
Lunch |
| 1:15 pm |
Wentzcovitch |
Quasiharmonic approximation; Influence of exchange Correlation functional on structural properties and phase boundaries [Podcast][Aud][Cam] |
| 2:15 pm |
Break |
| 2:45 pm |
de Gironcoli and Kokalj |
More phonon hands-on examples [Podcast][Aud][Cam] |
| 5:15 pm |
Carrillo Dining Commons |
Dinner |
| 7:00 pm |
Discussion with tutorial instructors |
| Thursday, July 31, 2008 |
| 7:15 am |
Carrillo Dining Commons |
Breakfast |
| 8:30 am |
da Silva |
Vlab cyberinfrastructure [Podcast][Aud][Cam] |
| 9:30 am |
da Silva, da Silveira, Wentzcovitch |
VLab demo [Podcast][Aud][Cam] |
| 10:00 am |
Break |
| 10:30 am |
da Silva and da Silveira |
Vlab hands-on practice [Podcast][Aud][Cam] |
| 12:00 pm |
Ortega Dining Commons |
Lunch |
| 1:15 pm |
Karki, Winkler, and Kokalj |
Research presentations and discussion by tutorial participants: [Podcast][Aud][Cam] |
| 3:00 pm |
Break |
| 3:30 pm |
Practice with Vlab |
| 5:15 pm |
Carrillo Dining Commons |
Dinner |
| 7:00 pm |
Discussion with tutorial instructors |
| Friday, August 1, 2008 |
| 7:15 am |
Carrillo Dining Commons |
Breakfast |
| 3:15 pm |
Umemoto, Wu |
Research presentations [Slides][Podcast][Aud][Cam] |
| 10:00 am |
Break |
| 10:30 am |
da Silva and da Silveira |
Vlab hands-on practice [Podcast][Aud][Cam] |
| 12:00 am |
Carrillo Dining Commons |
Lunch |
| 5:00 pm |
Carrillo Dining Commons |
Dinner |
