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26th WIEN2k workshop - 13-17 August 2019 (No replies)
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26th WIEN2k workshop - 13-17 August 2019
This is an announcement for the 26th WIEN2k workshop, which will be held this year in Vienna, Austria, from 13-17 August 2019 as a Satellite meeting to the 32nd European Crystallographic Meeting, ECM32, which runs from 18. - 23. August 2019.
Topics of the workshop:
. Introduction to density functional theory
. Introduction to the APW+lo method
. Concepts of WIEN2k
. Use of the web-based graphical user interface (w2web) as well as the command-line interface
. "Hands-on" calculations with the WIEN2k code
. DFT+U, hybrid-DFT, GW, BSE and optical properties
. Core level spectroscopy (XPS, XAS, EELS)
. NMR Chemical shifts, Knight shifts and quadrupole interactions, Mössbauer hyperfine interactions
. Relativistic effects, collinear and non-collinear magnetism
. Advanced topics and new features in WIEN2k (building models with supercells, structure optimization, phonons, Wannier functions, Berry phases, Transport, ... )
. discussions and exchange of experience between users and developers
. Poster session
Following a long tradition and success, the WIEN2k workshop provides an arena for both, new and experienced WIEN2k users who come together and discuss elemental questions as well as the latest developments in the world of WIEN2k.
More information can be found at http://www.wien2k.at
PS: Registration is handled by ECM32 (https://ecm2019.org). Of course it is possible to participate only in the WIEN2k workshop, although I highly recommend to use the opportunity and attend ECM32.