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SA2-CAS(2,2) calculation with cistep=ALDET and ISPIN=0

GrEv
grevgen13@gmail.com


Hello,

I have a question related to a SA2-CAS(2,2) calculation using cistep=ALDET and ISPIN=0.
I am interested in two singlet states, S0 and S1. Even with NSTGSS=4
the calculation crashes with the error:

***** ERROR *****
THIS RUN FOUND    1 CI EIGENVECTORS WITH S= 0.00,
BUT YOU REQUESTED STATE AVERAGING OF    2 ROOTS.
PLEASE EXAMINE YOUR CHOICE OF -NSTATE- INPUT DATA.

So, I wonder if cistep=ALDET can be used in such a case, or only cistep=GUGA works here?

Best regards,
Evgeniy


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