gw_embedding.gw_flow
Module for gw flow
- class gw_embedding.gw_flow.dummy_sumk(n_inequiv_shells, n_orb_list, enforce_off_diag, use_rot, magnetic)[source]
create dummy sumk helper object
Methods
symm_deg_gf(gf_to_symm[, ish])Averages a GF or a dict of np.ndarrays over degenerate shells.
- symm_deg_gf(gf_to_symm, ish=0)[source]
Averages a GF or a dict of np.ndarrays over degenerate shells.
Degenerate shells of an inequivalent correlated shell are defined by self.deg_shells. This function enforces corresponding degeneracies in the input GF.
- Parameters:
- gf_to_symmgf_struct_solver like
Input and output GF (i.e., it gets overwritten) or dict of np.ndarrays.
- ishint
Index of an inequivalent shell. (default value 0)
- gw_embedding.gw_flow.embedding_driver(general_params, solver_params, gw_params, advanced_params)[source]
Function to run the gw embedding cycle.
- Parameters:
- general_paramsdict
general parameters as a dict
- solver_paramsdict
solver parameters as a dict
- gw_paramsdict
dft parameters as a dict
- advanced_paramsdict
advanced parameters as a dict
Classes
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create dummy sumk helper object |