NERSC Berkeley 2016: Difference between revisions
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== Lectures == | == Lectures == | ||
*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Basics.pdf DFT, PW, and PAW]: "VASP: The basics. DFT, plane waves, PAW, ...". | *[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Basics.pdf DFT, PW, and PAW]: "VASP: The basics. DFT, plane waves, PAW, ...". Video: [http://www.youtube.com/watch?v=vJkNv095Aj8&t=3s Part1] and [http://www.youtube.com/watch?v=dVguc4W1hrQ&t=180s Part2] | ||
*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Hybrids.pdf Hybrid functionals]: "VASP: Hybrid functionals". | *[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Hybrids.pdf Hybrid functionals]: "VASP: Hybrid functionals". [http://www.youtube.com/watch?v=OQhRYzWAGfk&t=20s Video] | ||
*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Dielectric.pdf Dielectric properties]: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields". | *[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Dielectric.pdf Dielectric properties]: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields". [http://www.youtube.com/watch?v=rnXnqDvaSNo&t=18s Video] | ||
*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_RPA.pdf Beyond DFT: RPA]: "VASP: beyond DFT. The Random-Phase-Approximation". | *[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_RPA.pdf Beyond DFT: RPA]: "VASP: beyond DFT. The Random-Phase-Approximation". [http://www.youtube.com/watch?v=7Vt3s8WWGCU&t=5s Video] | ||
== Tutorials == | == Tutorials == | ||
*[http://www.vasp.at/vasp-workshop/tutorials/ | *[http://www.vasp.at/vasp-workshop/tutorials/VASP_tutorial_AtomsMoleculesBulk.pdf From Atoms to Bulk systems]: A description of the examples "Atoms and molecules" and "Simple bulk systems". | ||
*[http://www.vasp.at/vasp-workshop/tutorials/ | *[http://www.vasp.at/vasp-workshop/tutorials/VASP_tutorial_SurfaceScience.pdf Surface Science]: A description of the examples "A bit of surface science". | ||
*[http://www.vasp.at/vasp-workshop/tutorials/ | *[http://www.vasp.at/vasp-workshop/tutorials/VASP_tutorial_DielectricsRPA.pdf Dielectric properties and RPA]: A description of the examples "Dielectric properties and RPA". | ||
== Exercises == | == Exercises == | ||
[[NERSC_Berkeley_2016_HOWTO|HOWTO: running the exercises]] | |||
=== Atoms and molecules === | === Atoms and molecules === | ||
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[[Category:VASP]][[Category:Workshops]] | [[Category:VASP]][[Category:Workshops]] | ||
Latest revision as of 08:26, 20 October 2023
Lectures
- DFT, PW, and PAW: "VASP: The basics. DFT, plane waves, PAW, ...". Video: Part1 and Part2
- Hybrid functionals: "VASP: Hybrid functionals". Video
- Dielectric properties: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields". Video
- Beyond DFT: RPA: "VASP: beyond DFT. The Random-Phase-Approximation". Video
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".
- Dielectric properties and RPA: A description of the examples "Dielectric properties and RPA".
Exercises
Atoms and molecules
O atom spinpolarized low symmetry
Simple bulk systems
A bit of surface science
partial DOS of CO on Ni 111 surface
vibrational frequencies of CO on Ni 111 surface
Hybrid functionals
bandgap of Si using different DFT+HF methods
fcc Ni DOS with hybrid functional
Dielectric properties and RPA
equilibrium volume of Si in the RPA
dielectric properties of Si using BSE