I am going to share some examples about the usage of dflow.
- The file, dflow_cp2k_slurm is an example to illustrate how to use dflow to do cp2k calculation automatically.
- The file, dflow_VASP_Pymatgen is an example to show how to use other python packages, e.g. pymatgen, in dflow. This is based on VASP opimization and single calculations(ELF, density).
- The workflow of VASP in dflow_VASP_lbg is based on https://bohrium.dp.tech/ platform.