Excited state calculations with EOMCC module

[bala...@gmail.com]

Dear Dirac experts,

I am trying to compute the excited states of a closed shell diatomic molecule using the EOM-CC module with a fully relativistic Hamiltonian and C1 point group. As I am using C1 symmetry, there is only one state symmetry (i.e 'a') for which I can compute the excited states. Is there a way to specify the molecular excited states (sigma, pi,..) with different multiplicity (singlet, triplet) instead of just mentioning the state symmetry number ('a') in the input file?

Thanks in advance!

Regards,

Renu