postprocessing.pade_sigma

postprocessing.pade_sigma._run_pade(sigma_iw_list, n_w, w_min, w_max, n_iw, eta)

Run pade in parallel. Call via main function.

postprocessing.pade_sigma._write_sigma_omega_to_h5(sigma_w, external_path, iteration)

Writes real-frequency self energy to h5 archive.

postprocessing.pade_sigma.main(external_path, n_w, w_min, w_max, n_iw, iteration=None, eta=0.0)

Main function that reads the Matsubara self-energy from h5, analytically continues it, writes the results back to the h5 archive and also returns the results.

Function parallelizes using MPI over impurities and blocks.

Parameters:

external_pathstring

Path to the h5 archive to read from and write to

n_wint

number of real frequencies of the final self-energies returned

w_minfloat

Lower end of range where Sigma is being continued.

w_maxfloat

Upper end of range where Sigma is being continued.

n_iwint

number of Matsubara frequencies to consider for the Pade approximant

iterationint/string

Iteration to read from and write to. Default to last_iter

etafloat

frequency offset within Pade

Returns:

sigma_wlist of triqs.gf.BlockGf

Sigma(omega) per inequivalent shell