Monday July 26: Day 1 - Vibrational Spectroscopies
Registration 8:30-9:00
Paolo Umari, Nicola Bonini, Luigi Giacomazzi
9.00 - 10.30 Background Experiment and Theory (N. Bonini) (slides)
11.00 - 12.30 Neutron-Infrared-Raman (P.Umari) (slides)
12.45 - 14.00 Lunch
14.00 - 17.00 Computer Lab (slides-phonons) (day1-phonons.tar.gz) (slides-vibtools) (day1-vibtools.tar.gz)
Tuesday July 27: Day 2 - NMR and EPR Spectroscopies, Poster session
Davide Ceresoli, Emine Kuçukbenli
9.00 - 10.00 Experiment and Theory of NMR and EPR (slides)
10.15 - 11.15 Implementation with QE: the GIPAW method (slides)
11.30 - 12.00 How to use gipaw.x, GIPAW pseudopotentials (slides)
12.15 - 13.30 Lunch
13.30 - 16.00 Computer Lab (instructions) (day2.tar.gz)
16.00 - 18.00 Poster session
Wednesday July 28: Day 3 - Core level Spectroscopies (XPS, NEXAFS), Tutorial dinner
Andrea Goldoni, David Prendergast, Heather Whitley, Yosuke Kanai
9.00 - 10.00 Background Experiment (A. Goldoni) (slides)
10.15 - 11.15 Theory and implementation with QE (slides)
11.30 - 12.30 Applications
12.45 - 14.00 Lunch
14.00 - 17.00 Computer Lab (References) (day3.tgz) (Message from D. Prendergast)
19.00 - Tutorial dinner in Opicina
Thursday July 29: Day 4 - Electronic Spectroscopies (GW, photoemission)
Paolo Umari, Andrea Goldoni
9.00-10.00 Background Experiment (A. Goldoni) (slides)
10.15-11.15 Essential introduction to GW (slides)
11.30-12.30 The GWL method and code in Quantum-Espresso (slides)
12.45-14.00 Lunch
14.00-17.00 Computer Lab (slides) (day4.tar.gz)
Friday July 30: Day 5 - Optical Spectroscopies (TDDFT), Visit to ELETTRA
Stefano Baroni, Dario Rocca
9.00-10.30 DFT goes time dependent (slides)
10.45-11.45 DFT goes time dependent
12.00-12.30 Computational spectroscopy with Quantum-Espresso (slides)
12.45-14.00 Lunch
14.00-16.00 Computer Lab (slides) (instructions) (day5.tar.gz)
16.00-19.00 Visit to ELETTRA: Bus 38 direction downtown 4.30 pm, change
in piazza Oberdan and take bus 39 (4.55pm) till Elettra (5.13 pm)