mtabulo

SETPOT: Grid of insufficient extent

2

I was running a rwfnestimate calculation for Barium, using a CSF of: [Xe] 6s(2,*) [Xe] 6s(1,*)5d(1,*) [Xe] 5d(2,*) Double excitations and with the active orbitals: 10s,9p,9d,7f,7g,7h,7i I received the error:...