Hello, The better solution would be to run first MBJ without SO, and then to switch on SO.
F. Tran On Sat, 29 Jan 2011, Francisco Garcia wrote: > Dear users, > > If I want to perform mbj calculations with s.o. interaction do I first > run mbj followed the s.o. calculation or I first run the usual s.o > calculations and then switch on mbj. > _______________________________________________ > Wien mailing list > Wien at zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >