| 14:00 - 15:00 | Registration | |
| 15:00 - 15:15 | Opening remarks | |
| 15:15 - 16:45 | L1 | M. Scheffler:
Present status of ab initio electronic structure calculations (abstract) |
| 16:45 | Coffee | |
| 17:15 - 18:30 | L2 | P. Kratzer:
Fast guide to density-functional calculations (abstract) |
| 18:30 | Reception and get-together |
Tuesday, 22 July: Pseudopotentials and the Plane wave Method
| 9:00 - 10:15 | L3 | E. Pehlke:
The plane-wave pseudopotential method (abstract) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L4 | M. Fuchs:
Pseudopotentials for ab initio electronic structure calculations (abstract) |
| 12:15 | Lunch | |
| 14:00 - 14:30 | D1 | E. Penev:
Constructing pseudopotentials with the program fhi98PP (talk) |
| 14:30 - 18:00 | E1 | Practical session |
| 18:30 | Dinner |
Wednesday, 23 July: Methodological and Calculational Aspects
| 9:00 - 10:00 | L5 | J. Neugebauer:
Algorithms for total energy minimisation (abstract) |
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| 10:00 - 11:00 | L6 | P. Kratzer:
Prerequisites for reliable modelling with first-principles methods (abstract) |
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| 11:00 | Coffee | ||
| 11:30 - 12:00 | L7 | S. Boeck:
Introduction to the SFHIngX code (abstract) |
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| 12:15 | Lunch | ||
| 14:00 - 14:30 | D2 | F. Grzegorzewski:
Calculation of bulk properties (talk, handout) |
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| 14:30 - 18:00 | E2 | Practical session | |
| 18:30 | Dinner | ||
| 19:45 - 20:15 | M. Scheffler:
The historic Dahlem district and the Fritz-Haber-Institut |
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| 20:15- 21:30 | Poster Parade |
Thursday, 24 July: Surface Physics and Chemistry
| 9:00 - 10:00 | L8 | M. Fuchs:
Density functionals for exchange and correlation: From LDA to GGA and beyond (abstract) |
| 10:00 - 11:00 | L9 | E. Pehlke:
Surface structure, chemisorption, and reactions (abstract) |
| 11:00 | Coffee | |
| 11:30 - 12:30 | L10 | K. Reuter:
Ab initio atomistic thermodynamics and its applications in heterogeneous catalysis (abstract) |
| 12:45 | Lunch | |
| 14:00 - 14:30 | D3 | A. Dick and S. Frank:
Bulk band-structure calculations (talk, handout) |
| 14:30 - 18:00 | E3 | Practical session |
| 18:30 | Poster session (contributions by participants) |
Friday, 25 July: Description and Comparison of ab inito Methods
| 9:00 - 9:50 | L11 | P. Blaha:
The FP-LAPW and APW methods (abstract) |
| 9:50 - 10:40 | L12 | P. Bloechl:
The Projector augmented wave method (abstract) |
| 10:40 | Coffee | |
| 11:10 - 12:00 | L13 | J. Behler:
DMol3 - A Standard Tool for Density Functional Calculations (abstract) |
| 12:00 - 12:30 | L14 | M. Scheffler:
Comparison of First-Principles Methods/Codes (abstract) |
| 12:45 | Lunch | |
| 14:00 - 14:30 | D4 | T. Hammerschmidt and L. Lymperakis:
Surface relaxation and band structures (talk, handout) |
| 14:30 - 18:00 | E4 | Practical session |
| 18:30 | Dinner |
Saturday, 26 July: Excursion Departure from Harnack-House
Monday, 28 July: Molecular Dynamics, Charged States, and more...
| 9:00 - 10:15 | L15 | J. Neugebauer:
Multi-scale approaches to bridge length and time scales (abstract) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L16 | L. Ismer:
First-principles molecular dynamics (abstract) |
| 12:15 | Lunch | |
| 14:00 - 14:30 | D5 | L. Ismer:
Molecular Dynamics (talk, handout) |
| 14:30 - 18:00 | E5 | Practical session |
| 18:30 | Dinner |
Tuesday, 29 July: Beyond the ground state: TDDFT, exact exchange, GW
| 9:00 - 10:00 | L17 | K. Tatarczyk:
When States Get Excited - or - a Short Guide to the Time-dependent DFT (abstract) |
| 10:00 - 11:00 | L18 | A. Qteish:
Exact-exchange approach of the Kohn-Sham formalism (abstract) |
| 11:00 | Coffee | |
| 11:30 - 12:30 | L19 | A. Schindlmayr:
Quasiparticle band structures and the GW approximation (abstract) |
| 12:45 | Lunch | |
| 14:00 - 14:30 | D6 | P. Eggert and M. Wahn:
Quasiparticle band structures and Exact-exchange (talk 1/ 2) |
| 14:30 - 18:00 | E6 | Practical session |
| 18:30 | Dinner |
Wednesday, 30 July: Engineering and Biology
| 9:00 - 10:15 | L20 | J. Dabrowski:
Ab initio total energy calculations for silicon microelectronics (abstract) |
| 10:15 | Coffee | |
| 10:45 - 12:00 | L21 | J. Ireta:
Structural analysis of biological systems (abstract) |
| 12:15 | Lunch |