View source for Sigma2 Oslo 2019

== Lectures ==

*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Basics1.pdf DFT, PW, and PAW]: "VASP: The basics(1). DFT, plane waves, PAW, ...".

*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_Basics2.pdf electronic convergence, BZ sampling]: "VASP: The basics(2). electronic convergence, BZ sampling ...".

*[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_Kaltak.pdf Beyond DFT: RPA]: "VASP: beyond DFT. The Random-Phase-Approximation".

*[http://www.vasp.at/vasp-workshop/lectures/VASP_lecture_HPC.pdf Performance]: "VASP: running on HPC resources".

== Environment Setup ==
After login, open a Terminal and enter following command
 source ~/data/bin/setup_environment.sh 
The job scripts found in the tutorial files (job.sh, doall.sh, etc) work only if the environment variables "vasp_std, vasp_gam, vasp_ncl" are defined. This is done via
 export vasp_std="mpirun -np 2 /home/notebook/data/bin/vasp_std"
 export vasp_gam="mpirun -np 2 /home/notebook/data/bin/vasp_gam"
 export vasp_ncl="mpirun -np 2 /home/notebook/data/bin/vasp_ncl"

== Tutorials ==

For the beginners: [[Input_and_Output_-_a_short_Intro| A short introduction to the common Input and Output files.]]

*[[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]]
*[[GW_and_ACFDT_-_Tutorial|The Random-Phase-Approximation: GW and ACFDT]]
*[[BSE_-_Tutorial|The Bethe-Salpeter equation]]
*[[Magnetism_-_Tutorial|Magnetism]]

== Further Examples ==
==== Nudge Elastic Band Method and (constrained) Molecular Dynamics ====

*[[Liquid Si - Standard MD]]

*[[Transition State Search of Ammonia]]

*[[Adsorption of H2O on TiO2]]

==== Magnetism in 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]]

==== NMR calculations ====

*[[alpha-SiO2]]

*[[alpha-AlF3]]