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:

ikinteger

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

ishinteger

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

bnamestring

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

gf_to_upfoldGf

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

gf_inpGf

FIXME

shellsstring, 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).

irinteger, optional

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

Returns: