Vienna Ab-initio Simulation Package (VASP) Workshop 2025
This event will be held in Rennes from June 30th to July 4th
30 giugno - 4 luglio 2025Passato
The VASP workshop, co-organized with the VASP team, will be held in Rennes (France), on the ENSCR site, from June 30th to July 4th, 2025.
This workshop deals with density-functional-theory (DFT) calculations using the Vienna Ab-initio Simulation Package (VASP). VASP is one of the most popular electronic structure codes performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. The workshop is a unique opportunity to learn the use, power and limitations of the package accompanied by in-person 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 a basic knowledge of solid state physics and chemistry.
Topics Covered
Introduction to the projector-augmented wave (PAW) method
Basics of structure optimization and machine learning force fields (MLFF)
Data analysis and visualization using py4vasp
Electron-phonon coupling (new!) and phonons without external packages
Magnetism (spin-polarized, SOC, noncollinearity, MAE, spin torque)
Exchange-correlation functionals revisited
Registration is now open !
Information and registration
Contact
Xavier Rocquefelte, xavier.rocquefelte@univ-rennes.fr
