Let’s assume that a crystal has been calculated by Hartree–Fock (HF) method (or DFT one), i.d., so to speak, the "first characteristics", which are eigenvalues and eigenvectors, as well as Fock matrix on a final step of iteration, have been done. Using these "first characteristics", can I obtain the electrical conductivity tensor (ECT)?
The comment by Ian Bush:
"In a rush but both Kubo-Greenwood approaches (e.g. arxiv.org/abs/2201.12290) and Boltzmann Transport equation (e.g. aip.scitation.org/doi/10.1063/1.4986398) have been used"
got 5 upvotes and there's been no request for further clarification, so I'm moving this out of the unanswered queue, but keeping it open so that it remains to get the opportunity of getting a more detailed answer.