Requests for technical support from the VASP group should be posted in the VASP-forum.

Sigma2 Oslo 2019

From Vaspwiki
Jump to navigation Jump to search


  • Dielectric properties: "VASP: Dielectric response. Perturbation theory, linear response, and finite electric fields".

Environment Setup

After login, open a Terminal and enter following command

source ~/data/bin/ 

The job scripts found in the tutorial files (,, 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.

Further Examples

Nudge Elastic Band Method and (constrained) Molecular Dynamics

Magnetism in NiO

NMR calculations