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Difference between revisions of "ICAMM Rennes 2019"

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*[[BSE_-_Tutorial|The Bethe-Salpeter equation]]
 
*[[BSE_-_Tutorial|The Bethe-Salpeter equation]]
 
*[[Magnetism_-_Tutorial|Magnetism]]
 
*[[Magnetism_-_Tutorial|Magnetism]]
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[[Transition State Search of Ammonia]]
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[[Adsorption of H2O on TiO2]]
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=== NMR calculations ===
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[[alpha-SiO2]]
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[[alpha-AlF3]]
  
  

Revision as of 18:00, 23 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

Transition State Search of Ammonia Adsorption of H2O on TiO2

NMR calculations

alpha-SiO2

alpha-AlF3


Miscellaneous

HOWTO: running the exercises