ICAMM Rennes 2019

From VASP Wiki

Lectures

  • Dielectric properties: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields".
  • BSE: "VASP: Beyond DFT. The Bethe-Salpeter Equation".
  • Magnetism: "Magnetism: Spin-orbit coupling, magnetic exchange and anisotropy".

Tutorials

NMR calculations

Transition State Search of Ammonia

Adsorption of H2O on TiO2

NMR calculations

alpha-SiO2

alpha-AlF3


Miscellaneous

HOWTO: running the exercises