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WIEN2k workshop
Adding a new dimension to DFT calculations of solids
July 5-7, 2010
Scope of the Workshop:
This 17th WIEN2k workshop deals with density functional (DFT) calculations using the (full-potential) Augmented Plane Wave plus Local Orbitals (APW+lo) method as embodied in the WIEN2k code. WIEN2k is one of the most popular electronic structure codes used to perform calculations with the Full Potential LAPW method. The workshop is a unique opportunity to learn the use, power and limitations of the package with the tutoring of the authors and developers of the code. The activities will be aimed at graduate students and researchers from industry and academia. The only pre-requisite is to have a basic knowledge of solid state physics, and chemistry.
The workshop covers three aspects:
- Introduction to DFT, APW+lo, and WIEN2k
- Applications using WIEN2k code (and related methods)
- Lectures on and exercises with WIEN2k
1st edition of the International Conference on Advanced Materials Modelling
July 8-10, 2010Scope of the Conference:
This conference will be the first of a bi-annual series aimed to gather scientists working in the field of theoretical chemistry and physics, and who are interested in:
- Using various calculation methods in order to understand the properties (optical, electronic, magnetic, ferroelectric, piezoelectric, multiferroic, catalytic, photovoltaics) of advanced materials having various applications in the field of energy storage and conversion, memories, optoelectronics…;
- Codes developments (WIEN2k, VASP, FHI-AIMS, CASTEP, ABINIT, SIESTA, Quantum ESPRESSO, OCTOPUS …) and new implementations in semi-empirical and/or first-principles approaches;
- Simulating electronic, optical and vibrational spectroscopies (XAS, EELS, XPS, IR/Raman, NMR …).
Chair:
Florent Boucher, IMN, France
Xavier Rocquefelte, IMN, France
