e_csf_full.dat: R and corresponding full (20 states) diagonal BO Hamiltonian matrix elements of CSF states.
e_bo_full.dat: R and corresponding full (20 states) BO state energies

eh_init.dat/ct_init.dat: initial conditions for Ehrenfest/CT (R and dR/dt)

ci.xyz: Optimized CI structure between S0/S1
g0.dat/h0.dat: Raw g/h vectors
g_orthnorm.dat/h_orthnorm.dat: Orthonormalized g/h vectors
