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VASP Scripting

Bash scripting to automate VASP routines.

Getting Started

Downloading

  • Create your working directory. Keep only POSCAR inside working directory
  • Download all the scripts into your working directory under new folder "_scripts"
  • Instructions for the script are written inside the script itself at the top

Executing program

  • Go into the "_scripts" folder under working directory
  • Always initiate tmux before running scripts
  • bash "filename.sh" - [e.g. bash relax.sh]
bash relax.sh

Help

Any advise for common problems or issues, let me know.

Authors

Quazi