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

Determines the degenerate shells of local Green’s functions by analysing the structure of the corresponding non-interacting Green’s function. The results are stored in the SumkDFT.block_structure attribute.

Due to the implementation and numerics, the maximum difference between two matrix elements that are detected as equal can be a bit higher (e.g. a factor of two) than the actual threshold.

Glist of BlockGf of GfImFreq or GfImTime

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

thresholdreal, optional

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

include_shellslist of integers, optional

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