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ICAMM Rennes 2019

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  • 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".


Further Examples

Nudge Elastic Band Method and constrained Molecular Dynamics

Magnetism in NiO

NMR calculations


HOWTO: running the exercises