Hello Turbomole Hive Mind,
I am having problems converging Aufbau (within the beta manifold) electronic configurations for some high spin complexes I am looking at. Manually changing the electronic structure to be Aufbau and then reoptimising merely results in a non-Aufbau system again. I know that on other quantum chemical packages there are other SCF algorithms that can be used that might resolve this issue I'm having: so I am wondering if Turbomole has anything similar? I've consulted the manual but not had much luck.
Thanks in advance,
jad1507
