Author Topic: cbas for uranium  (Read 9263 times)


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cbas for uranium
« on: February 19, 2018, 01:51:01 PM »
Dear turbomole community,

I would like to run a ccsd(t) calculation on a uranium compound. There are no auxiliary basis set for U available, how do I have to proceed? Do I have to use cbasopt and if yes, how does it work? cbasopt -h doesn't give me enough information.