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Difference between revisions of "ICAMM Rennes 2019"

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*[[Adsorption of H2O on TiO2]]
*[[Adsorption of H2O on TiO2]]
*[[Liquid Si - Standard MD]]
==== Magnetism in NiO ====
==== Magnetism in NiO ====

Revision as of 17:49, 24 June 2019


  • 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

NEB and constrained MD

Magnetism in NiO

NMR calculations


HOWTO: running the exercises