From chemistry-request@ccl.net Fri Apr 19 12:32:50 1991 Date: Fri, 19 Apr 91 12:01 EST From: "Chuck Ulmer, University of Toledo" Subject: G90 Question To: chemistry@ccl.net Status: R Gaussian 90 now has the ability to do direct SCF calculations. I found that using the direct SCF proceedure is almost three times as fast as indirect SCF on the CRAY for the system and basis set with which I am working. My problem is that I cannot use direct SCF proceedures for MP3 single points and I would like to know if I can speed the MP3 single point calculations by setting the SCF convergence criteria lower (there are SCF=SinglePoint and Conv=N keywords). If this is possible, would this affect resulting energies, would this speed calculations significantly, and how would I do this? Chuck Ulmer Department of Chemistry University of Toledo GRX0663@uoft02.utoledo.edu