triqs_dft_tools.sumk_dft.SumkDFT.eff_atomic_levels

SumkDFT.eff_atomic_levels()

Calculates the effective local Hamiltonian required as an input for the Hubbard I Solver. The local Hamiltonian (effective atomic levels) is calculated by projecting the on-site Bloch Hamiltonian:

\[H^{loc}_{m m'} = \sum_{k} P_{m \nu}(k) H_{\nu\nu'}(k) P^{*}_{\nu' m'}(k),\]

where

\[H_{\nu\nu'}(k) = [\epsilon_{\nu k} - h_{z} \sigma_{z}] \delta_{\nu\nu'}.\]

Parameters:

None

Returns:

eff_atlevelsgf_struct_sumk like

Effective local Hamiltonian \(H^{loc}_{m m'}\) for each inequivalent correlated shell.