postprocessing.maxent_gf_imp
Analytic continuation of the impurity Green’s function to the impurity spectral function using maxent.
Reads G_imp(i omega) from the h5 archive and writes A_imp(omega) back. See the docstring of main() for more information.
Not mpi parallelized.
Author: Maximilian Merkel, Materials Theory Group, ETH Zurich, 2020 - 2022
- postprocessing.maxent_gf_imp.main(external_path, iteration=None, sum_spins=False, maxent_error=0.02, n_points_maxent=200, n_points_alpha=50, omega_min=-20, omega_max=20)[source]
Main function that reads the impurity Greens (GF) function from h5, analytically continues it, writes the result back to the h5 archive and also returns the results.
- Parameters:
- external_pathstring
Path to the h5 archive to read from and write to.
- iterationint/string
Iteration to read from and write to. Defaults to last_iter.
- sum_spinsbool
Whether to sum over the spins or continue the impurity GF for the up and down spin separately, for example for magnetized results.
- maxent_errorfloat
The error that is used for the analyzers.
- n_points_maxentint
Number of omega points on the hyperbolic mesh used in the continuation.
- n_points_alphaint
Number of points that the MaxEnt alpha parameter is varied on logarithmically.
- omega_minfloat
Lower end of range where the GF is being continued. Range has to comprise all features of the impurity GF for correct normalization.
- omega_maxfloat
Upper end of range where the GF is being continued. See omega_min.
- Returns:
- maxent_resultslist
The omega mesh and impurity spectral function from two different analyzers in a dict for each impurity