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