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25th WIEN2k-workshop (No replies)

1 week ago
pblaha 1 week ago

It is a pleasure to announce our 

                   25th WIEN2k-workshop
           Boston College, Boston, US, 12-16.June 2018

     (For more details and registration visit   http://bc.edu/wien2k )

The 25th international WIEN2k workshop is a hands-on tutorial approach to teach band structure calculations using WIEN2k, one of the most popular (and one of the most accurate) DFT packages, to graduate students and researchers from industry and academia.
The Workshop aimes at both, theorists and experimentalists, because many experiments require theoretical support or interpretations. The only pre-requisite is to have a basic knowledge of solid state physics and chemistry. It is planned as a four-day event and will present introductory lectures and recent developments of electronic-structure theory in materials science, solid-state physics, and computational chemistry:
- The APW-lo band structure method
- Basic and advanced DFT
- Optical properties, core level spectroscopy, GW and BSE
- Magnetism and relativistic effects
- Structural model building (surfaces, supercells) and optimization
- Wannier fuctions and polarization (Berry phases)
- Hyperfine interactions (NMR, Mössbauer)

At least half of the time will be devoted for hands-on exercises to satisfy the beginners and give them an easy start, while more advanced users can seek advise on their own problems and discuss with the developers of the WIEN2k package from the Technical University of Vienna.

Participants can present a poster of their accomplished or planned research and have a great opportunity to get familiar with a
powerful package like WIEN2k.

Boston College is proud to organize this WIEN2k workshop from June 12 to 16, 2018 and welcomes all participants.

Fazel Tafti                                                         Peter Blaha
Boston College, USA                                        TU Vienna, Austria
Web: http://www.fazeltafti.com                                   http://www.wien2k.at

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Ab initio (from electronic structure) calculation of complex processes in materials