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Difference between revisions of "Sigma2 Oslo 2019"

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

Latest revision as of 14:46, 23 September 2019

Lectures

  • 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/setup_environments.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: 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