View source for ICAMM Rennes 2016

== 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_Hybrids.pdf Hybrid functionals]: "VASP: Hybrid functionals".

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

== Tutorials ==

*[http://www.vasp.at/vasp-workshop/tutorials/tutorial1.pdf Tutorial1]: A description of the examples "Atoms and molecules" and "Simple bulk systems".
*[http://www.vasp.at/vasp-workshop/tutorials/tutorial2.pdf Tutorial2]: A description of the examples "A bit of surface science".
*[http://www.vasp.at/vasp-workshop/tutorials/tutorial_ammonia_flipping.pdf Tutorial_Ammonia_Flipping]: A description of the examples "Transition State Search methods".

== Exercises ==
:[[ICAMM_Rennes_2016_HOWTO|HOWTO: running the 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]]

=== Transition State Search of Ammonia ===

[[relaxed geometry]]

[[TS search using the NEB Method]]

[[Vibrational Analysis of the TS]]

[[TS search using the Improved Dimer Method]]

=== Magnetism on NiO ===

[[NiO GGA]]

[[NiO GGA+U]]

[[NiO HSE06]]

[[Estimation of J magnetic coupling]]

[[Including the Spin-Orbit Coupling]]

[[Determining the Magnetic Anisotropy]]

[[Constraining the local magnetic moments]]

=== Dielectric properties and RPA ===

[[dielectric properties of SiC]]

[[bandgap of Si in GW]]

[[GW bandstructure of SrVO3 in GW]]

[[dielectric properties of Si using BSE]]

[[model BSE calculation on Si]]

[[equilibrium volume of Si in the RPA]]

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