csc_flow
contains the charge self-consistency flow control functions
- csc_flow.csc_flow_control(general_params, solver_params, dft_params, gw_params, advanced_params)[source]
Function to run the csc cycle. It writes and removes the vasp.lock file to start and stop Vasp, run the converter, run the dmft cycle and abort the job if all iterations are finished.
- Parameters:
- general_paramsdict
general parameters as a dict
- solver_paramsdict
solver parameters as a dict
- dft_paramsdict
dft parameters as a dict
- gw_paramsdict
gw parameters as a dict
- advanced_paramsdict
advanced parameters as a dict