Hey Guys,

I was wondering if there is anyway to implement Douglas-Kroll-Hess transformations in Q-Chem. I know that such transformations are available in GAMESS( using the REWFLN=DK keyword) and Molpro, so I was just wondering if it was also possible in Q-Chem. I am trying to verify the results of a calculation done by a prior colleague.
« Last edit by sseehra on Sun Jul 03, 2016 8:11 pm. »