Hello Q-Chem folks,
After reading the MOS-MP2 and O2 papers discussing open-shell molecule (doublets in my case) geometry optimizations, I wanted to give O2 a shot. A number of c_os values were used, which I gather is specified using sos_factor. The papers found the optimal c_os value varied depending on the type of calculation, from around 1.0 to 1.4. Grep'ing for various terms (eg sos, factor, scale, etc) did not turn up any answers. Is the default value 1.0 (sos_factor 1000000) in Q-Chem 5.0?
Thanks,
Benj