Phonon computing workflow based on dflow
Prepare a folder with the name work_dir.Under this folder, place the files needed for the calculation.If you want to use vasp calculation, you need to prepare POSCAR, POTCAR, INCAR, param.json.If you want to use the DP potential function to calculate, you need to prepare POSCAR, param.json, frozen_model.pb You can see the folder of several demos(dp_demo,vasp_dfpt_demo,vasp_displacement_demo).
write the global.json
nohup python3 run.py &
You can track the progress of the task at https://workflow.dp.tech/