Preliminary Program

ETB Building, Outside room 535

Day 1: Friday, June 3, 2016

Time

Event

Location

16:00 - 19:00 Conference Registration ETB Building Main Lobby
19:00 - 21:00 Welcome Reception The Phoenix Bar & Grill

Day 2: Saturday, June 4, 2016

08:00 - 08:45 Workshop Registration ETB Building, Main Lobby
08:45 - 09:00 Welcome address ETB Building, Room 535
09:00 - 10:00

K.Schwarz: Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method

ETB Building, Room 535
10:00 - 10:30 Break
10:30 - 12-00 P.Blaha: An overview of the WIEN2k package for beginners ETB Building, Room 535
12:00 - 13-30 LUNCH Commons Building, 2nd floor
13:30 - 14-15 P.Blaha: Volume optimization, QTL, AIM ETB Building, Room 535
14:15 - 16:00

Exercise I: Getting started, struct file, init, scf, charge density, DOS, bands, FS

ETB Building, Room 118
16:00 - 16-30 Break ETB Building, Outside Room 118
16:30 - 18-00 Exercise II: Volume optimization ETB Building, Room 118

Day 3: Sunday, June 5, 2016

09:00 - 09:30

P.Blaha: Forces, structure optimization, supercells, surfaces, phonons

ETB Building, Room 535
09:30 - 10:00

K.Schwarz: Magnetism (FM, FSM, AFM)

ETB Building, Room 535
10:00 - 10:30

Break

ETB Building, Outside room 535
10:30 - 11:15 F. Tran: advanced DFT, Hybrid-DFT, LDA+U, GW ETB Building, Room 535
11:15 - 13:00 Exercise III: Structure optimization, supercells and surfaces, phonons ETB Building, Room 535
13:00 - 14:30 LUNCH Commons Building, 2nd floor
14:30 - 15:15

R.Laskowski: Optical properties, Core-level spectra (XAS, EELS), BSE

ETB Building, Room 535
15:15 - 16:00 P.Blaha: Installation of Wien2k, parallelization ETB Building, Room 118
16:00 - 16:30

Break

ETB Building, Outside room 118
16:30 - 18:00 Exercise IV: magnetism ETB Building, Room 118
18:00 - Poster Session ETB building, Outside Room 118

Day 4: Monday, June 6, 2016

09:00 - 10:00 O. Rubel: Wannier functions and Berry phases ETB Building, Room 535
10:00 - 10:30 Break ETB Building, Outside room 535
10:30 - 12:00 Exercise V: Core level spectroscopy (XSPEC, ELNES) ETB Building, Room 118
12:00 - 13:30 LUNCH Commons Building, 2nd floor
13:30 Bus will be leaving Commos Building, McMaster University to Niagara Falls.  At Niagara Falls the “Maid of the Mist” boat tour will be taken.  

Bus will be leaving Niagara Falls Tourism Bus Station at 5:00 p.m. to go to “Trius Winery at Hillebrand” for a dine experience.
Coach Bus

Day 5: Tuesday, June 7, 2016

09-00 - 10:00 X. Rocquefelte: Relativistic effects, non-collinear magnetism (NCM) ETB Building, Room 535
10:00 - 10:30 Break ETB Building, Outside room 535
10:30 - 12:00

Exercise VI: Spin-orbit coupling, LDA+U

Exercises VII: Optic, hybrid DFT, mBJ
ETB Building, Room 118
12:00 - 13:30 LUNCH Commons Building, 2nd floor
13:30 - 14:00 S. Cottenier: Hyperfine interactions ETB Building, Room 535
14:00 - 14:30 R. Laskowski: NMR chemical shifts ETB Building, Room 535
14:30 - 16:00 Exercises VIII: Hyperfine interactions + NMR chemical shifts
ETB Building, Room 118
16:00 - 16:30 Break ETB Building, Outside room 535
16:30 - 17:30 Exercises IX: Wannier functions + BerryPI ETB Building, Room 118
17:30 - 18:00 Round table & closing ETB Building, Room 535