| 1:43:14 AM PDT - Wed, Sep 11th 2013 |
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Hi all,
I have the following problem/question: I did some DFT geometry optimizations with density fitting (via "cd basis"). Now I want to calculate some properties with another DF but without density fitting. Is there a possibility to restart the job (optimized geometry + MO vectors) and just disable the density fitting? I haven't found any command to disable the "cd basis" set. My intention is to save computational time because the previously converged MO vectors are already better than a new initial MO guess.
Regards,
Michael
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