NERSC Berkeley 2016 - Revision history

Ftran at 08:26, 20 October 2023

2023-10-20T08:26:48Z

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	----		----
	~~[[The_VASP_Manual\|Contents]]~~

	[[Category:VASP]][[Category:Workshops]]		[[Category:VASP]][[Category:Workshops]]

Vaspmaster: /* Lectures */

2017-03-10T11:55:02Z

Lectures

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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 ==

Vaspmaster: /* Tutorials */

2017-03-10T11:52:20Z

Tutorials

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	*[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/VASP_tutorial_AtomsMoleculesBulk.pdf From Atoms to Bulk systems]: A description of the examples "Atoms and molecules" and "Simple bulk systems".
	~~:Video: [https://www.youtube.com/watch?v=OQhRYzWAGfk&t=6s Part1]~~
	*[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/VASP_tutorial_SurfaceScience.pdf Surface Science]: A description of the examples "A bit of surface science".
	*[http://www.vasp.at/vasp-workshop/tutorials/VASP_tutorial_DielectricsRPA.pdf Dielectric properties and RPA]: A description of the examples "Dielectric properties and RPA".		*[http://www.vasp.at/vasp-workshop/tutorials/VASP_tutorial_DielectricsRPA.pdf Dielectric properties and RPA]: A description of the examples "Dielectric properties and RPA".

Vaspmaster: /* Tutorials */

2017-03-10T11:48:45Z

Tutorials

← Older revision		Revision as of 11:48, 10 March 2017
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	*[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/VASP_tutorial_AtomsMoleculesBulk.pdf From Atoms to Bulk systems]: A description of the examples "Atoms and molecules" and "Simple bulk systems".
			:Video: [https://www.youtube.com/watch?v=OQhRYzWAGfk&t=6s Part1]
	*[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/VASP_tutorial_SurfaceScience.pdf Surface Science]: A description of the examples "A bit of surface science".
	*[http://www.vasp.at/vasp-workshop/tutorials/VASP_tutorial_DielectricsRPA.pdf Dielectric properties and RPA]: A description of the examples "Dielectric properties and RPA".		*[http://www.vasp.at/vasp-workshop/tutorials/VASP_tutorial_DielectricsRPA.pdf Dielectric properties and RPA]: A description of the examples "Dielectric properties and RPA".

Vaspmaster: /* Exercises */

2016-11-04T15:59:16Z

Exercises

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	== Exercises ==		== Exercises ==

			[[NERSC_Berkeley_2016_HOWTO\|HOWTO: running the exercises]]

	=== Atoms and molecules ===		=== Atoms and molecules ===

Vaspmaster: /* Tutorials */

2016-11-04T15:48:22Z

Tutorials

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	== Tutorials ==		== Tutorials ==

	*[http://www.vasp.at/vasp-workshop/tutorials/~~tutorial_from_atoms_to_bulk~~.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/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/~~tutorial_surface_science~~.pdf Surface Science]: A description of the examples "A bit of surface science".		*[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/~~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/VASP_tutorial_DielectricsRPA.pdf Dielectric properties and RPA]: A description of the examples "Dielectric properties and RPA".

	== Exercises ==		== Exercises ==

Vaspmaster at 14:36, 4 November 2016

2016-11-04T14:36:24Z

← Older revision		Revision as of 14:36, 4 November 2016
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	== Lectures ==		== Lectures ==

	*[http://www.vasp.at/vasp-workshop/lectures/~~VASP_lecture_Basics1~~.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, ...".

	*[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".

Vaspmaster: /* Tutorials */

2016-11-04T12:36:07Z

Tutorials

← Older revision		Revision as of 12:36, 4 November 2016
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	== Tutorials ==		== Tutorials ==

			*[http://www.vasp.at/vasp-workshop/tutorials/tutorial_from_atoms_to_bulk.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/tutorial_surface_science.pdf Surface Science]: A description of the examples "A bit of surface science".
			*[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".

	== Exercises ==		== Exercises ==

Vaspmaster: /* Lectures */

2016-11-04T12:32:35Z

Lectures

← Older revision		Revision as of 12:32, 4 November 2016
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	== Lectures ==		== Lectures ==

			*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Basics1.pdf DFT, PW, and PAW]: "VASP: The basics. DFT, plane waves, PAW, ...".

			*[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_Dielectric.pdf Dielectric properties]: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields".

			*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_RPA.pdf Beyond DFT: RPA]: "VASP: beyond DFT. The Random-Phase-Approximation".

	== Tutorials ==		== Tutorials ==

Vaspmaster: Created page with "== Lectures == == Tutorials == == Exercises == === Atoms and molecules === O atom O atom spinpolarized O atom spinpolarized low symmetry O dimer CO..."

2016-11-04T12:23:42Z

Created page with "== Lectures == == Tutorials == == Exercises == === Atoms and molecules === O atom O atom spinpolarized O atom spinpolarized low symmetry O dimer CO..."

New page

== Lectures ==

== Tutorials ==

== Exercises ==

=== Atoms and molecules ===

[[O atom]]

[[O atom spinpolarized]]

[[O atom spinpolarized low symmetry]]

[[O dimer]]

[[CO]]

[[CO vibration]]

[[CO partial DOS]]

[[H2O]]

[[H2O vibration]]

[[H2O molecular dynamics]]

=== Simple bulk systems ===

[[fcc Si]]

[[fcc Si DOS]]

[[fcc Si bandstructure]]

[[cd Si]]

[[cd Si volume relaxation]]

[[cd Si relaxation]]

[[fcc Ni]]

[[graphite TS binding energy]]

[[graphite MBD binding energy]]

[[graphite interlayer distance]]

=== A bit of surface science ===

[[Ni 100 surface relaxation]]

[[Ni 100 surface DOS]]

[[Ni 100 surface bandstructure]]

[[Ni 111 surface relaxation]]

[[CO on Ni 111 surface]]

[[Ni 111 surface high precision]]

[[partial DOS of CO on Ni 111 surface]]

[[vibrational frequencies of CO on Ni 111 surface]]

[[STM of graphite]]

[[STM of graphene]]

=== Hybrid functionals ===

[[bandgap of Si using different DFT+HF methods]]

[[fcc Ni DOS with hybrid functional]]

[[Si HSE bandstructure]]

=== Dielectric properties and RPA ===

[[dielectric properties of SiC]]

[[bandgap of Si in GW]]

[[equilibrium volume of Si in the RPA]]

[[bandstructure of SrVO3 in GW]]

[[dielectric properties of Si using BSE]]

[[model BSE calculation on Si]]

----
[[The_VASP_Manual|Contents]]

[[Category:VASP]][[Category:Workshops]]