No convergence for O2 core excitation state with MRCI

[Zixu Wang]

Dear Molpro developers and users,

I've performed a two-step strategy with CASSCF and successfully obtained the O2 state where one electron is missing from the inermost core orbital. I saved the orbitals of this state in 2144.2 file. I'd like to improve the accuracy by using MRCI with 2144.2 orbitals as inital input, but there are more valence hole states that have the same symmetry but lower energies compared to this core hole state; to avoid convergence to them, I wrote the input file with "restrict" key word. However, the MRCI failed to converge. Could you help me check what's the reason for this failure or is there any other way to use MRCI for calculating this state?

Thank you very much !!!

(Here are my input file and output file with error information.)