ICAMM Rennes 2019: Difference between revisions
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*[http://www.vasp.at/vasp-workshop/tutorials/tutorial_h2o_on_tio2.pdf Adsorption of H2O on TiO2]: A description of the examples "Constrained Molecular Dynamics". | *[http://www.vasp.at/vasp-workshop/tutorials/tutorial_h2o_on_tio2.pdf Adsorption of H2O on TiO2]: A description of the examples "Constrained Molecular Dynamics". | ||
*[http://www.vasp.at/vasp-workshop/tutorials/tutorial_dielectrics_and_RPA.pdf Dielectric properties and RPA]: A description of the examples "Dielectric properties and RPA". | *[http://www.vasp.at/vasp-workshop/tutorials/tutorial_dielectrics_and_RPA.pdf Dielectric properties and RPA]: A description of the examples "Dielectric properties and RPA". | ||
*[[Atoms_and_Molecules_-_Tutorial|Atoms and molecules]] | |||
*[[Bulk_Systems_-_Tutorial|Simple bulk systems]] | |||
*[[Surface_Science_-_Tutorial|A bit of surface science]] | |||
*[[Hybrid_functionals_-_Tutorial|Hybrid functionals]] | |||
*[[Optical_properties_and_dielectric_response_-_Tutorial|Optical properties and dielectric response]] | |||
== Miscellaneous == | == Miscellaneous == | ||
:[[ICAMM_Rennes_2016_HOWTO|HOWTO: running the exercises]] | :[[ICAMM_Rennes_2016_HOWTO|HOWTO: running the exercises]] | ||
Revision as of 19:57, 22 June 2019
Lectures
- DFT, PW, and PAW: "VASP: The basics(1). DFT, plane waves, PAW, ...".
- electronic convergence, BZ sampling: "VASP: The basics(2). electronic convergence, BZ sampling ...".
- structure relaxation, MD: "VASP: The basics(3). structure relaxation, phonons, MD...".
- Hybrid functionals: "VASP: Hybrid functionals".
- Dielectric properties: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields".
- Beyond DFT: RPA: "VASP: beyond DFT. The Random-Phase-Approximation".
- BSE: "VASP: Beyond DFT. The Bethe-Salpeter Equation".
- Magnetism: "Magnetism: Spin-orbit coupling, magnetic exchange and anisotropy".
Tutorials
- From Atoms to Bulk systems: A description of the examples "Atoms and molecules" and "Simple bulk systems".
- Surface Science: A description of the examples "A bit of surface science".
- Ammonia Flipping: A description of the examples "Transition State Search methods".
- Adsorption of H2O on TiO2: A description of the examples "Constrained Molecular Dynamics".
- Dielectric properties and RPA: A description of the examples "Dielectric properties and RPA".
- Atoms and molecules
- Simple bulk systems
- A bit of surface science
- Hybrid functionals
- Optical properties and dielectric response