Scientific Program
All classes will be held in Stokes Hall, South 295
D a y 1 : T u e s d a y , J u n e 12 , 2 0 1 8
Arrival
Registration: 4:00–6:00 p.m.
Higgins Hall Atrium
D a y 2 : W e d n e s d a y , J u n e 13 , 2 0 1 8
| Hours | Topic | Notes | Instructor |
|---|---|---|---|
| 8:30–9:00 a.m. | Breakfast and Welcome | ||
| 9:00–10:00 a.m. | Density functional theory (DFT) and the concepts of the augmented‐plane‐wave plus local orbitals (APW+lo) method |  | K. Schwarz |
| 10:00–10:30 a.m. | A first overview of the WIEN2k package for beginners | P. Blaha | |
| 10:30-11:00 a.m. | Coffee Break | ||
| 11:00 a.m –12:30 p.m. | Overview of WIEN2k, Volume optimization, bands, DOS | | P. Blaha |
| 12:30–1:30 p.m. | Lunch | ||
| 1:30–2:30 p.m. | Forces, structure optimization, supercells, phonons | P. Blaha | |
| 2:30–3:00 p.m. | Coffee Break | ||
| 3:00–6:00 p.m. | Exercises | |
D a y 3 : T h u r s d a y , J u n e 14 , 2 0 1 8
| Hours | Topic | Notes | Instructor |
|---|---|---|---|
| 8:30–9:00 a.m. | Breakfast | ||
| 9:00–9:30 a.m. | Magnetism (FM, FSM, AFM) | | K. Schwarz |
| 9:30–10:30 a.m. | Advanced DFT: Hybrid-DFT, vdw-DFT, LDA+U, f-electrons | | F. Tran |
| 10:30–11:00 a.m. | Coffee Break | ||
| 11:00 a.m. –12:30 p.m. | Exercises | ||
| 12:30–1:30 p.m. | Lunch | ||
| 1:30–2:30 p.m. | Optical properties, Core-level spectra, GW, BSE | | P. Blaha |
| 2:30–3:00 p.m. | Coffee Break | ||
| 3:00–6:00 p.m. | Exercises |
D a y 4 : F r i d a y , J u n e 15 , 2 0 1 8
| Hours | Topic | Notes | Instructor |
|---|---|---|---|
| 8:30–9:00 a.m. | Breakfast | ||
| 9:00–10:00 a.m. | Relativistic effects, NCM | | X. Rocquefelte |
| 10:00–10:30 a.m. | Wannier functions | O. Rubel | |
| 10:30–11:00 a.m. | Coffee Break | ||
| 11:00 a.m. –12:30 p.m. | Exercises | ||
| 12:30–1:30 p.m. | Lunch | ||
| 1:30–2:00 p.m. | Berry phases, backfolding | | O. Rubel |
| 2:00 p.m. | Social Event |
D a y 5 : S a t u r d a y , J u n e 16 , 2 0 1 8
| Hours | Topic | Notes | Instructor |
|---|---|---|---|
| 8:30–9:00 a.m. | Breakfast | ||
| 9:00–9:45 a.m. | Hyperfine Interctions and NMR | | F. Tran |
| 9:45–10:30 a.m. | Installation and parallelization of WIEN2k | | P. Blaha |
| 10:30–11:00 a.m. | Coffee Break | ||
| 11:00 a.m. –12:30 p.m. | Exercises | ||
| 12:30–1:30 p.m. | Lunch | ||
| 1:30–2:30 p.m. | Poster Session | ||
| 2:30–3:00 p.m. | Coffee Break (during poster session) | ||
| 3:00–6:00 p.m. | Exercises | ||
| 6:00–6:30 p.m. | Closing Remarks |
D a y 6 : S u n d a y , J u n e 17 , 2 0 1 8