[Wien] wien2k workshop, June 12-16

Peter Blaha pblaha at theochem.tuwien.ac.at
Tue Apr 3 08:06:12 CEST 2018


Dear wien2k users,

This is a reminder about our wien2k workshop in June.

Following the many questions on the mailing list, I can only very much 
recommend that beginners of wien2k try to participate on this workshop.

It will give unexperienced users (in particular working in groups 
without experience in DFT and wien2k) a unique opportunity to get 
familiar with a complex package like wien2k. It will shorten the time 
you need for your PhD and lay the basis for a successful PhD work.
Both, the theoretical lectures, but in particular the hand-on sessions, 
where you can also work on problems of your personal interest and get 
help by experts, will definitely be of great value for you.

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                    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 is aimed to 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
Boston College, USA
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
WWW: 
http://www.imc.tuwien.ac.at/tc_blaha------------------------------------------------------------------------- 



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