+Q Corrections for excited states

[Ruairi Graham]

Hi DIRAC experts,

The method for working out +Q corrections in the tutorial only works for the ground state. I tried running a KRCI calculation using

CI ROOTS:

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and only managed to get +Q corrections from the ground state and got an error when it tried working them out for the excited states as there was no reference energy. I think this is due to KRMCSCF only targeting the lowest root of a given Ω. I cannot seem to find any examples in this forum or in the literature of someone using DIRAC to do +Q corrections for electronic states higher than the ground state. Can someone let me know if it is even possible to do +Q corrections for excited states and how would i go about doing it?