# All pao methods should reproduce the reference energy
H2O_ref.inp                       11     9e-14    -17.202700812326320
H2O_pao_exp.inp                   11     1e-08    -17.202700812326320
H2O_pao_fock.inp                  11     1e-08    -17.202700812326320
H2O_pao_rotinv.inp                11     1e-08    -17.202700812326320
H2O_pao_eq_prim.inp               11     3e-09    -17.202700812326320
#
# rotated system, energy changes slightly due to grid and cell
#
H2O_ref2.inp                      11     9e-14    -17.202822380853704
H2O_pao_rotinv_restart.inp        11     5e-07    -17.202822380853704
H2O_pao_check_grad.inp             0
#EOF
