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Difference between revisions of "ICAMM Rennes 2019"

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== Further Examples ==
 
== Further Examples ==
==== Nudge Elastic Band Method and constrained Molecular Dynamics ====
+
==== Nudge Elastic Band Method and (constrained) Molecular Dynamics ====
  
 
*[[Liquid Si - Standard MD]]
 
*[[Liquid Si - Standard MD]]

Revision as of 18:28, 24 June 2019

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

For the beginners: A short introduction to the common Input and Output files.

Further Examples

Nudge Elastic Band Method and (constrained) Molecular Dynamics

Magnetism in NiO

NMR calculations


Miscellaneous

HOWTO: running the exercises