Requests for technical support from the VASP group should be posted in the VASP-forum.
Sigma2 Oslo 2019
- DFT, PW, and PAW: "VASP: The basics(1). DFT, plane waves, PAW, ...".
- electronic convergence, BZ sampling: "VASP: The basics(2). electronic convergence, BZ sampling ...".
- 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".
- Performance: "VASP: running on HPC resources".
After login, open a Terminal and enter following command
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"
For the beginners: A short introduction to the common Input and Output files.
- Atoms and Molecules
- Simple Bulk Systems
- A bit of Surface Science
- Hybrid Functionals
- Optical Properties and Dielectric Response
- The Random-Phase-Approximation: GW and ACFDT
- The Bethe-Salpeter equation