I am interested in using PSI4 to generate initial guess densities from atomic superpositions, ideally that I could then print as a .fchk, .wfn or any other structured file format. However, I am not very knowledgeable about the source code, and have not been able to find the SAD bit.
On the other hand, as it is not something particularly useful, I dont really know whether this is possible in PSI4 at all! Is there a guess=only equivalent in PSI4? Other options I can think about involve limiting the number of SCF cycles to 0, but if I am not wrong this will usually perform at least one SCF cycle (maybe only a diagonalization or some integrals, but same applies), which in a large system should be much more expensive than generating the SAD guess. Which is the only thing I really want.
Hence, this topic. Anyone has any info on this?