News

Day 5 exercises uploaded!

Program

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)


Subpages (1): Syllabus
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Heather Whitley,
Jul 29, 2010 5:24 AM
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CECAMTutorialXrayPrendergastRefs.tgz
(13212k)
Heather Whitley,
Jul 29, 2010 5:26 AM
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Davide Ceresoli,
Jul 26, 2010 11:47 PM
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Davide Ceresoli,
Jul 22, 2010 4:32 AM
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Davide Ceresoli,
Jul 22, 2010 4:32 AM
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PresentVibTOOLS3.pdf
(364k)
Davide Ceresoli,
Jul 31, 2010 8:24 AM
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Davide Ceresoli,
Aug 13, 2010 2:50 AM
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Davide Ceresoli,
Aug 13, 2010 2:50 AM
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bonini_introduction_on_phonons.pdf
(1039k)
Davide Ceresoli,
Aug 5, 2010 7:48 AM
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day1-phonons.tar.gz
(389k)
Davide Ceresoli,
Aug 5, 2010 7:48 AM
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day1-vibtools.tar.gz
(2362k)
Davide Ceresoli,
Jul 31, 2010 8:24 AM
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Davide Ceresoli,
Jul 27, 2010 4:32 AM
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day2.tar.gz
(6325k)
Davide Ceresoli,
Jul 26, 2010 11:25 PM
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day3.tgz
(13543k)
Heather Whitley,
Jul 29, 2010 5:23 AM
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day5.tar.gz
(979k)
Davide Ceresoli,
Aug 13, 2010 2:50 AM
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exercise_gw.pdf
(40k)
pumari@sissa.it,
Jul 28, 2010 8:46 AM
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lecture_goldoni_1.pdf
(12968k)
dario rocca,
Aug 6, 2010 4:24 AM
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lecture_goldoni_2.pdf
(12896k)
dario rocca,
Aug 6, 2010 4:24 AM
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lecture_umari1.pdf
(693k)
pumari@sissa.it,
Jul 28, 2010 8:45 AM
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lecture_umari2.pdf
(4072k)
pumari@sissa.it,
Jul 28, 2010 8:46 AM
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qe@cecamTS-2010.pdf
(4697k)
Davide Ceresoli,
Aug 3, 2010 12:45 AM
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tddft@cecamTS-2010.pdf
(10889k)
Davide Ceresoli,
Aug 3, 2010 12:45 AM
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tutorial_phonons_Si.pdf
(981k)
Davide Ceresoli,
Aug 5, 2010 7:48 AM
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pumari@sissa.it,
Jul 25, 2010 4:15 AM

Comments

Emine Kucukbenli - Jul 27, 2010 3:18 PM

After yesterday's pseudopotential demand, I started to believe that not many people know about this site:
http://www-int.impmc.upmc.fr/~software/gipaw/pseudopotentials.html
Here you can find some pps. Please, remember to always check them before using.