Posted by Nick Mosey on October 02, 2006 at 23:55:08:
Hi,
Does the semi-direct implementation work with UHF calculations? Whenever I run calculations using this combination of options, I end up with a closed-shell result - even when starting with orbitals corresponding to an open-shell wavefunction that were full converged in a previous UHF calculation using the conventional SCF method.
Thanks,
Nick