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MONDAY, 10 May |
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10:00 |
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Registration and coffee |
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SESSION I : INTRODUCTIVE SESSION |
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(Chair : D.C. Allan) |
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10:30 |
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Gilles ZERAH |
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Welcome |
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10:40 |
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Xavier GONZE (15'+5') |
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ABINIT : 3.5 years of GNU GPL Licence |
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11:00 |
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Fabien BRUNEVAL (25'+10') |
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Electronic Excitations of Cu2O within GW Approximation |
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11:35 |
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Nicola SPALDIN (30'+10') |
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Organization of software for the computational design of new materials |
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12:15 |
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Lunch |
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SESSION II : NEW FEATURES: GROUND STATE |
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(Chair : D.R. Hamann) |
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14:00 |
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Marc TORRENT (30'+10') |
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PAW
Atomic Data Generation for ABINIT |
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14:40 |
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François JOLLET (30'+10') |
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Implementation of the PAW formalism in ABINIT : present features and perspectives |
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15:20 |
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Coffee Break |
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15:50 |
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Matthieu VERSTRAETE (15'+5') |
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DOS
and partial DOS in ABINIT: angular momentum projection and the tetrahedron method |
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16:10 |
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Gilles ZERAH (30'+10') |
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Experimentation with parareal molecular dynamics and Thomas-Fermi as a predictor |
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16:50 |
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Christophe AUDOUZE (20+10') |
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Parallel research of numerous eigenvalues in ABINIT |
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