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.