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

 

Departure


Check out from on-campus dormitory housing by noon.