triqs_dft_tools.sumk_dft.SumkDFT.upfold

SumkDFT.upfold(ik, ish, bname, gf_to_upfold, gf_inp, shells='corr', ir=None)[source]

Upfolds a block of the Green’s function for a given shell and k-point using the corresponding projector matrices.

Parameters:

ik : integer

k-point index for which the upfolding is to be done.

ish : integer

Shell index of GF to be upfolded.

  • if shells=’corr’: ish labels all correlated shells (equivalent or not)

  • if shells=’all’: ish labels only representative (inequivalent) non-correlated shells

bname : string

Block name of the target block of the lattice Green’s function.

gf_to_upfold : Gf

Block of the Green’s function that is to be upfolded.

gf_inp : Gf

FIXME

shells : string, optional

  • if shells=’corr’: orthonormalized projectors for correlated shells are used for the upfolding.

  • if shells=’all’: non-normalized projectors for all included shells are used for the upfolding.

  • if shells=’csc’: orthonormalized projectors for all shells are used for the upfolding. Used for H(k).

ir : integer, optional

Index of equivalent site in the non-correlated shell ‘ish’, only used if shells=’all’.

Returns:

gf_upfolded : Gf

Upfolded block of the lattice Green’s function.