Hello,

I am trying ground and excited state geometry optimization with RICC2 program for several methods - MP2, CIS(D), CIS(Dinf), ...

I started with MP2.

`$ricc2`

mp2

cis(d)

maxiter= 500

geoopt model=mp2 state=(x)

$excitations

irrep=a multiplicity= 3 nexc= 9 npre= 9 nstart= 9

For a ground state didn't work, but after removing `state=(x)`

it was ok.

I used

`ridft > ridft.out`

rdgrad > rdgrad.out

ricc2 > ricc2.out

jobex -level cc2 -rijk -ri -relax -gcart 4 -c 300

NumForce -level cc2 -rijk -ri -central > force.out

For an excited state I didn't use the "-ex" directive in jobex/NumForce, as I suppose the excited state choice is based on "state =" option in the control file.

I perform the no symmetry calculation, so all irreps are labeled "a" and I don't use "$exopt n" (as for TDDFT/TDHF/CIS). So the only change for excited state is

`$ricc2`

mp2

cis(d)

maxiter= 500

geoopt model=mp2 state=(a n)

$excitations

irrep=a multiplicity= 3 nexc= 9 npre= 9 nstart= 9

where "n" = 1,2,...,9 for the number of the root.

But I got the output with "job.last" ending with

**"**

cc_parse_states> inconsistency in state input!

ricc2 ended abnormally

"

and not more than one cycle of optimization was performed for the excited state (n= 1). Where is the mistake in my input, please?

Best regards,

Jakub