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Espresso Tutorial

Monday 26 Sep 2005
9:00 P.Giannozzi
Introduction to the QUANTUM-ESPRESSO package
10:30 --- Break ---
11:00 P. Giannozzi
QUANTUM-ESPRESSO installation
12:30 --- Lunch ---
14:00 S. de Gironcoli
Input-output description
15:30 --- Break ---
16:00 G. Fratesi
Graphical User Interface (GUI)
Tuesday 27 Sep 2005
9:00 P. Giannozzi
Pseudopotentials
10:30 --- Break ---
11:00 S. de Gironcoli
PWSCF - Simple examples
12:30 --- Lunch ---
14:00 G. Fratesi
XcryDens
15:30 --- Break ---
16:00 G. Fratesi
Post-processing and data analysis
Wednesday 28 Sep 2005
9:00 C. Sbraccia
Structural Optimization
10:30 --- Break ---
11:00 A. Satta
Practical Exercises
12:30 --- Lunch ---
14:00 C. Cavazzoni
Introduction to the ab-initio MD
15:30 --- Break ---
16:00 C. Cavazzoni
Implementation of ab-initio MD in FPMD
Thursday 29 Sep 2005
9:00 C. Cavazzoni
Ab-initio MD: examples
10:30 --- Break ---
11:00 C. Cavazzoni
Ab-initio MD: examples
12:30 --- Lunch ---
14:00 C. Sbraccia
NEB: kinetics of rare events
15:30 --- Break ---
16:00 R. Gebauer
Magnetic materials
Friday 30 Sep 2005
9:00 A. Dal Corso
Phonons
10:30 --- Break ---
11:00 P. Giannozzi
Infrared spectra and electron-phonon coupling
12:30 --- Lunch ---
14:00 A. Dal Corso
Ab-initio ballistic conductance (Theory)
15:30 --- Break ---
16:00 A. Dal Corso
Complex band structures and ballistic conductance (Application)



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last modified: 20.09.2005


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