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Monday, 1 March 2004
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8:30-9:15
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Registration
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9:15-9:30
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Welcome
(C. Cavazzoni)
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9:30-11:00
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Introduction
(S. Baroni)
lecture notes :
[1]
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11:00-11:30
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--- Break ---
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11:30-13:00
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DEMOCRITOS Packages
(P. Giannozzi)
lecture notes :
[1]
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13:00-14:30
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--- Lunch ---
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14:30-16:00
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PWscf: Installation
(G. Ballabio)
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16:00-16:30
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--- Break ---
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16:30-18:00
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PWscf: Input-output description
(S. de Gironcoli)
lecture notes :
[1]
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Tuesday, 2 March 2004
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9:30-11:00
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PWscf: Introduction
(S. de Gironcoli & P. Giannozzi)
lecture notes :
[1]
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11:00-11:30
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--- Break ---
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11:30-13:00
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PWscf: Introduction (II)
(P. Giannozzi & S. de Gironcoli)
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13:00-14:30
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--- Lunch ---
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14:30-16:00
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PWscf & XCrysDen: Advanced I/O handling
(T. Kokalj)
lecture notes :
[1]
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16:00-16:30
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--- Break ---
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16:30-18:00
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PWscf & XCrysDen: Advanced I/O handling (II)
(T. Kokalj)
lecture notes :
[1]
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Wednesday, 3 March 2004
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9:30-11:00
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PWscf: Setting up the input file (I)
(S. Fabris & C. Sbraccia)
lecture notes :
[1]
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11:00-11:30
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--- Break ---
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11:30-13:00
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PWscf: Setting up the input file (II)
(S. Fabris & C. Sbraccia)
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13:00-14:30
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--- Lunch ---
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14:30-16:00
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PWscf: Structural optimization and data analysis
(C. Sbraccia & S. Fabris)
lecture notes :
[1]
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16:00-16:30
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--- Break ---
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16:30-18:00
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Pseudopotential generation
(P. Giannozzi)
lecture notes :
[1]
[2]
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Thursday, 4 March 2004
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9:30-11:00
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FPMD & CP: Introduction on CP dynamics
(C. Cavazzoni)
lecture notes :
[1]
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11:00-11:30
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--- Break ---
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11:30-13:00
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FPMD & CP: Input-output description
(C. Cavazzoni)
lecture notes :
[1]
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13:00-14:30
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--- Lunch ---
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14:30-16:00
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FPMD & CP: An example of CP simulations
(C. Cavazzoni)
lecture notes :
[1]
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16:00-16:30
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--- Break ---
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16:30-18:00
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NEB: kinetics of rare events
(C. Sbraccia)
lecture notes :
[1]
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Friday, 5 March 2004
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9:30-11:00
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PHONON: Hands-on introduction
(A. Dal Corso)
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11:00-11:30
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--- Break ---
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11:30-13:00
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PHONON: Phonon dispersions
(A. Dal Corso)
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13:00-14:30
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--- Lunch ---
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14:30-16:00
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Round table on: Work in progress and Future perspectives
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16:00-16:30
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Concluding remarks
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