triqs_dft_tools.sumk_dft_tools.SumkDFTTools.analyse_block_structure_from_gf

SumkDFTTools.analyse_block_structure_from_gf(G, threshold=1e-05, include_shells=None, analyse_deg_shells=True)

Determines the block structure of local Green’s functions by analysing the structure of the corresponding non-interacting Green’s function. The resulting block structures for correlated shells are stored in the SumkDFT.block_structure attribute.

This is a safer alternative to analyse_block_structure, because the full non-interacting Green’s function is taken into account and not just the density matrix and Hloc.

Parameters:

G : list of BlockGf of GfImFreq, GfImTime, GfReFreq or GfReTime

the non-interacting Green’s function for each inequivalent correlated shell

threshold : real, optional

If the difference between matrix elements is below threshold, they are considered to be equal.

include_shells : list of integers, optional

List of correlated shells to be analysed. If include_shells is not provided all correlated shells will be analysed.

analyse_deg_shells : bool

Whether to call the analyse_deg_shells function after having finished the block structure analysis

Returns:

G : list of BlockGf of GfImFreq or GfImTime

the Green’s function transformed into the new block structure