TURBOMOLE Users Forum

TURBOMOLE Modules => ccsdf12 => Topic started by: tonyst on February 19, 2018, 01:51:01 PM

Title: cbas for uranium
Post by: tonyst 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.