Download PROCAR files from Nomad curl "http://nomad-lab.eu/prod/rae/api/raw/query?upload_id=EIDyjluDQ3eZnt-gI7Fc4Q&file_pattern=PROCAR.gz" --output nomad.zip Extract atom wave function projection by procar_parser.py python procar_parser.py You can run the commands on fidis using scripts in bash_scripts submit the bash script in this folder by sbatch bash_scripts/run_<python_program>.sh