
#  ----------------------  SCF  ----------------------

single_line    HI-DKH2.out_scf
Total energy
5
1.0e-05

# 1.0e-05 is one order smaller than the energy threshold in HI-RI.inp
# Laikov scheme for heavier nuclei is less numerically stable
single_line    HI.out_scf
Total energy
5
1.0e-05

#  -----------------  response current  --------------

single_line HI-CGO-Z-JB-Z-FLOW.out_visual HI-CGO-Z-JB-Z.out_visual
Total net current
5
1.0e-5

single_line HI-CGO-Z-JB-Z-FLOW.out_visual HI-CGO-Z-JB-Z.out_visual
Net current (+)
5
1.0e-5

single_line HI-CGO-Z-JB-Z-FLOW.out_visual HI-CGO-Z-JB-Z.out_visual
Net current (-)
5
1.0e-5

single_line HI-GIAO-X-JB-X.out_visual HI-GIAO-Y-JB-Y.out_visual HI-GIAO-Z-JB-Z1.out_visual
Total net current
5
1.0e-5

single_line HI-GIAO-X-JB-X.out_visual HI-GIAO-Y-JB-Y.out_visual HI-GIAO-Z-JB-Z1.out_visual
Net current (+)
5
1.0e-5

single_line HI-GIAO-X-JB-X.out_visual HI-GIAO-Y-JB-Y.out_visual HI-GIAO-Z-JB-Z1.out_visual
Net current (-)
5
1.0e-5

single_line HI-CGO-Y-JB-Y-CUBE.out_visual HI-CGO-Z-JB-Z-FLOW.out_visual
RING CURRENT TEST SUM
5
1.0e-5

single_line HI-GIAO-Y-JB-Y-MOs.out_visual HI-CGO-Z-JB-Z.out_visual
RING CURRENT TEST SUM
5
1.0e-5

single_line HI-GIAO-X-JB-X.out_visual HI-GIAO-Y-JB-Y.out_visual HI-GIAO-Z-JB-Z1.out_visual
RING CURRENT TEST SUM
5
1.0e-5

single_line HI-GIAO-X.out_cs HI-GIAO-Y.out_cs HI-GIAO-Z.out_cs HI-CGO-Y.out_cs HI-CGO-Z.out_cs HI-JJ-2z.out_sscc
For testing purposes:
3
1.0e-2

single_line HI-JJ-2z-JI-Z-CUBE.out_visual HI-JJ-2z-JI-Z-MOs.out_visual
jdotA(I)[Hz]
4
1.0e-2

single_line HI-JJ-2z-JI-Z-CUBE.out_visual HI-JJ-2z-JI-Z-MOs.out_visual
jdotA(B)[ppm]
4
1.0e-2

single_line
termination of ReSpect
0
0.0e-00
