Electronic Greens function and overview page for DMFT

This is a continuation of #1156 (closed) . We can prepare the overview page for DMFT entries including:

  • Table with input parameters: beta (inverse temperature), interactions (Hubbard U, ratio JH/U), and total filling: resolve from results.method.simulation.dmft. → to be discussed
  • Real part of the Green's function in taus: resolve from results.properties.electronic.greens_functions_electronic.real_greens_function_tau.
  • Imaginary part of the self-energy in Matsubaras: resolve from results.properties.electronic.greens_functions_electronic.imag_self_energy_iw.
  • Table with orbital occupations of each correlated orbital and spin, and per atom in the unit cell: resolve from results.properties.electronic.greens_functions_electronic.orbital_occupations. Table with quasiparticle weights of each correlated orbital and spin, and per atom in the unit cell: resolve from results.properties.electronic.greens_functions_electronic.quasiparticle_weights. → left for the metainfo data tab and the DMFT workflow plots

These will appear in the Electronic Structure part, after the bands, dos, BZ and band gap information.

Edited Jan 30, 2023 by Jose Pizarro
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