I am looking for a way to read .fchk file in psi4, such that I can restart a SCF calculation from such a file. I need this because I am playing with the MO coefficients with an external code, to generate localized orbitals. Then, I would like to check that the SCF calculation indeed converges in only one iteration using psi4. It should be the case because my localization scheme is similar to the Pipek-Mezey one, and implies only (unitary) rotations of pair of orbitals.
I’ve seen on this forum that I am not the only one interested by such a feature, and I am not sure if such option has been provided or not yet.
So my question is simple: is there a way to restart a psi4 calculation using an external .fchk file, and if not is it something that will be provided on a future release ?