[Wien] 26th WIEN2k workshop, August 12th - 17th, 2019 in Vienna
Peter Blaha
pblaha at theochem.tuwien.ac.at
Wed Feb 6 14:23:29 CET 2019
Dear WIEN2k users,
This is the first announcement of the 26th WIEN2k workshop, which will
be held this year in Vienna, Austria, from 12-17 August 2019.
It will be 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 will be handled by ECM32, but is not yet open for the
Satellite meetings. Of course it will be possible to participate only in
the WIEN2k workshop, although I highly recommend to use the opportunity
and attend ECM2019.
--
P.Blaha
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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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