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

single_line    DKH2.out_scf
Total energy
5
1.0e-05

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

#  ----------------------  NMR  ----------------------

single_line RI-CGO-CP-Wno-Rmno.out_cs RI-CGO-UP-Wyes.out_cs RI-CGO-UP-Wno-CM.out_cs RI-CGO-UP-Wno.out_cs RI-GIAO-CP-Rmno.out_cs RI-GIAO-UP.out_cs
SIGMA_11
1
1.0e-1

single_line RI-CGO-CP-Wno-Rmno.out_cs RI-CGO-UP-Wyes.out_cs RI-CGO-UP-Wno-CM.out_cs RI-CGO-UP-Wno.out_cs RI-GIAO-CP-Rmno.out_cs RI-GIAO-UP.out_cs
SIGMA_22
1
1.0e-1

single_line RI-CGO-CP-Wno-Rmno.out_cs RI-CGO-UP-Wyes.out_cs RI-CGO-UP-Wno-CM.out_cs RI-CGO-UP-Wno.out_cs RI-GIAO-CP-Rmno.out_cs RI-GIAO-UP.out_cs
SIGMA_33
1
1.0e-1

single_line
termination of ReSpect
0
0.0e-00
