When I try to run CCSD(T) with a uhf reference I get the error message:
select_ccsd_t_: Method ‘ccsd(t)’ with CC_TYPE ‘DF’ and REFERENCE ‘UHF’ not available
I was wondering if there’s any simple fix to this, since I’m running calculations that are too expensive for conventional CCSD(T). For some reason both Psi4 and ORCA don’t seem to allow this.