RASSCF convergence problem

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:
: In the RASSCF output I found the warning as following"Warning:Diagonal density matrix element 1 6 is close to two. The value is 2.000000" and the RASSCF convergence failed. : What is the reason for this ? : Thanks a lot!