triqs_dft_tools.sumk_dft_tools.SumkDFTTools.density_matrix

SumkDFTTools.density_matrix(method='using_gf')

Calculate density matrices in one of two ways.

Parameters:

method : string, optional

• if ‘using_gf’: First get lattice gf (g_loc is not set up), then density matrix.

  It is useful for Hubbard I, and very quick. No assumption on the hopping structure is made (ie diagonal or not).

• if ‘using_point_integration’: Only works for diagonal hopping matrix (true in wien2k).

beta : float, optional

Inverse temperature.

Returns:

dens_mat : list of dicts

Density matrix for each spin in each correlated shell.