triqs_dft_tools.sumk_dft_tools.SumkDFTTools.gen_Akw

SumkDFTTools.gen_Akw(mu, broadening, mesh, plot_shift, plot_range, shell_list, with_Sigma, with_dc, proj_type)

Internal routine used by spaghettis and spectral_contours to Calculate the k-resolved spectral function A(k,w). For advanced users only.

Parameters:

mu : double

Chemical potential, overrides the one stored in the hdf5 archive.

broadening : double

Lorentzian broadening of the spectra.

mesh : real frequency MeshType, optional

Omega mesh for the real-frequency Green’s function. Given as parameter to lattice_gf.

plot_shift : double

Offset for each A(k,w) for stacked plotting of spectra.

plot_range : list of double

Sets the energy window for plotting to (plot_range[0],plot_range[1]).

shell_list : list of integers, optional

Contains the indices of the shells of which the projected spectral function is calculated for. If shell_list = None and proj_type is not None, then the projected spectral function is calculated for all shells.

with_Sigma : boolean

If True, the self energy is used for the calculation. If false, the DOS is calculated without self energy.

with_dc : boolean

If True the double counting correction is used.

proj_type : string

Output the orbital-projected A(k,w) type from the following: ‘wann’ - Wannier A(k,w) calculated from the Wannier projectors ‘wien2k’ - Wien2k orbital-projected A(k,w) from the wien2k theta projectors

Returns:

Akw : Dict of numpy arrays

(Correlated) k-resolved spectral function

pAkw : Dict of numpy arrays

(Correlated) k-resolved spectral function projected to atoms. Empty if proj_type = None

pAkw_orb : Dict of numpy arrays

(Correlated) k-resolved spectral function projected to atoms and resolved into orbital contributions. Empty if proj_type = None