├── out/                     # place the generated structures here
├── rg2_cubic/               # this directory and the child directories will be created by script
|       ├── sg_195/          # sg stands for space group, sort based on space group
|       ├── sg_196/
|       ├── ...
|       └── sg_230/
|
├── scripts/  # place all the scripts that will be copied to each structure directory
|       ├── relax.sh         # main shell script that will be submitted to other nodes, contains relaxation and band structure calculation
|       ├── gen_incar_and_hs_kpoints.py    # for band structure calculation use
|       ├── check_state.py   # Show current job state ((W, R, BS, Q, F, ERROR), easy to trace the job path. See the script for detail
|       └── vasprun2json.py  # record the calculated bands results into .json file
|
├── structure_from_rg2.py    # contains the class which is the rg2_structure info from RG2
├── rg2_data_processing.py   # main script, will create folders and copy .vasp structures to each sub directory, and record other info
├── tools.py                 # some tools for initializing rg2_structure class 
├── batch_job_controller.py  # submit batch jobs at a time
├── elements_map.json        # contains elements map for POTCAR gerneration use
└── rg2_data_info_dict.json  # record the structure info here, will be automatically generated