Molcas Forum

andrewshyichuk

Member

Registered: 2020-02-13

Posts: 86

"Warning!!!, typden is incompatible with SA" in CCSDT

Dear Users,

I am running a CCSDT calculation on a system with a single unpaired electron.

I use:

CCT
TRIPles
 3
ADAPtation
 3
DENOminators
  2

I get the following warning in the CCSD section (Incore expansion), which is weird as denominator type is already set to 2:

  Warning!!!, typden is incompatible with SA
  type of denominators changed to 2 - Orb. energies

The "Warning!!!, typden is incompatible with SA" also shows up in the triples section.

Other than that, the calculation runs fine.

Should I be worried?

Thank you.
Andrew