triqs_dft_tools.sumk_dft.SumkDFT.density_matrix

SumkDFT.density_matrix(method='using_gf')[source]

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.