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Author List

Displaying 12 authors out of 12
ANDRES GOMEZ (McMasters University, Canada)
Berry phases and topological materials
GEORG MADSEN (TU Wien, Austria)
Transport: Boltztrap
Machine learned Force Fields
Defect Thermochemistry (Spinney)
KARLHEINZ SCHWARZ (TU Wien, Austria)
Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) method
Magnetism (FM, FSM, AFM)
LAURENCE MARKS (Northwestern University, USA)
Mixing + force minimization
Fact, Fiction and Fantasy for Oxide Surfaces
LEILA KALANTARI (TU Wien, Austria)
Exercises
NICOLA SERIANI (ICTP, Italy)
Ab-initio simulations of materials for energy applications
Small groups project on developing skills for presenting DFT results in publications
OLEG RUBEL (McMasters University, Canada)
Fold2Bloch. Wannier functions.
Benchmarking exchange-correlation potentials with the mstar60 dataset
PETER BLAHA (TU Vienna, Austria)
An overview of the WIEN2k package for beginners
Input files of scf programs, Volume optimization
Forces, structure optimization, supercells, surfaces, phonons
Wien2k at the command line
XPS, XES, XAS, EELS, BSE
Wien2k goodies
NMR
Surfaces and Catalysis
Installation of WIEN2k
Welcome address
Round table, Poster award & Closing
STEFAAN COTTENIER (University Gent, Belgium)
Precision of DFT calculations
Hyperfine interactions
XAVIER ROCQUEFELTE (University Rennes, France)
Relativistic effects
Optical properties
A Tale of Cuprates: The Good, the Bad and the Ugly!

Organizers

Peter Blaha (TU Vienna, Austria), Oleg Rubel (McMaster University, Canada), Local Organiser: Nicola Seriani (ICTP)

Co-sponsors