dmft_tools.solvers.hartree_interface.HartreeInterface

class dmft_tools.solvers.hartree_interface.HartreeInterface(general_params, solver_params, sum_k, icrsh, h_int, iteration_offset, deg_orbs_ftps, gw_params=None, advanced_params=None)

Bases: AbstractDMFTSolver

Methods

postprocess()	Organize G_freq, G_time, Sigma_freq and G_l from hartree solver
solve(**kwargs)	Solve the DMFT impurity problem

__init__(general_params, solver_params, sum_k, icrsh, h_int, iteration_offset, deg_orbs_ftps, gw_params=None, advanced_params=None)

static _fit_tail_window(Sigma_iw, fit_min_n=None, fit_max_n=None, fit_min_w=None, fit_max_w=None, fit_max_moment=None, fit_known_moments=None)

Fit a high frequency 1/(iw)^n expansion of Sigma_iw and replace the high frequency part with the fitted high frequency expansion.

Either give frequency window to fit on in terms of matsubara frequencies index (fit_min_n/fit_max_n) or value (fit_min_w/fit_max_w).

Parameters:

Sigma_iwGf

Self-energy.

fit_min_nint, optional, default=int(0.8*len(Sigma_iw.mesh))

Matsubara frequency index from which tail fitting should start.

fit_max_nint, optional, default=int(len(Sigma_iw.mesh))

Matsubara frequency index at which tail fitting should end.

fit_min_wfloat, optional

Matsubara frequency from which tail fitting should start.

fit_max_wfloat, optional

Matsubara frequency at which tail fitting should end.

fit_max_momentint, optional

Highest moment to fit in the tail of Sigma_iw.

fit_known_momentsndarray.shape[order, Sigma_iw[0].target_shape], optional, default = None

Known moments of Sigma_iw, given as an numpy ndarray

Returns:

tail_barrdict of arr

fitted tail of Sigma_iw

static _gf_fit_tail_fraction(Gf, fraction=0.4, replace=None, known_moments=[])

fits the tail of Gf object by making a polynomial fit of the Gf on the given fraction of the Gf mesh and replacing that part of the Gf by the fit

0.4 fits the last 40% of the Gf and replaces the part with the tail

Parameters:

GfBlockGf (Green’s function) object

fraction: float, optional default 0.4

fraction of the Gf to fit

replace: float, optional default fraction

fraction of the Gf to replace

known_moments: np.array

known moments as numpy array

Returns

——-

Gf_fitBlockGf (Green’s function) object

fitted Gf

_init_ImFreq_objects()

Initialize all ImFreq objects

_init_ReFreq_hartree()

Initialize all ReFreq objects

_init_ReFreq_objects()

Initialize all ReFreq objects

postprocess()

Organize G_freq, G_time, Sigma_freq and G_l from hartree solver

solve(**kwargs)

Solve the DMFT impurity problem

__init__(general_params, solver_params, ...)
postprocess()	Organize G_freq, G_time, Sigma_freq and G_l from hartree solver
solve(**kwargs)	Solve the DMFT impurity problem