--> In this example we shall plot the energy-level diagram (so-called 'Tanabe-Sugano Diagram') --> Energy levels will be printed a function of 10Dq parameter, representing the crystal field strength --> Setting up the d-shell --> d8 (2 holes) configuration has 45 possible states --> Initial Hamiltonian: H_e-e + H_SO + H_Zeeman --> H0 = F0dd*OppF0 + F2dd*OppF2 + F4dd*OppF4 + zeta_3d*Oppldots + Bz*(2*OppSz + OppLz); ================================= --> List of parameters: --> F2dd = 11.142 --> F4dd = 6.874 --> F0dd = U+(F2dd+F4dd)*2/63 --> zeta_3d = 0.081 --> Bz = 0.000001 ================================= --> Diagonalising... --> Adding the Crystal field as a perturbation: H' = H0 + x * H_CF --> start increasing x ... 10Dq = 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110 0.120 0.130 0.140 0.150 0.160 0.170 0.180 0.190 0.200 0.210 0.220 0.230 0.240 0.250 0.260 0.270 0.280 0.290 0.300 0.310 0.320 0.330 0.340 0.350 0.360 0.370 0.380 0.390 0.400 0.410 0.420 0.430 0.440 0.450 0.460 0.470 0.480 0.490 0.500 0.510 0.520 0.530 0.540 0.550 0.560 0.570 0.580 0.590 0.600 0.610 0.620 0.630 0.640 0.650 0.660 0.670 0.680 0.690 0.700 0.710 0.720 0.730 0.740 0.750 0.760 0.770 0.780 0.790 0.800 0.810 0.820 0.830 0.840 0.850 0.860 0.870 0.880 0.890 0.900 0.910 0.920 0.930 0.940 0.950 0.960 0.970 0.980 0.990 1.000 1.010 1.020 1.030 1.040 1.050 1.060 1.070 1.080 1.090 1.100 1.110 1.120 1.130 1.140 1.150 1.160 1.170 1.180 1.190 1.200 1.210 1.220 1.230 1.240 1.250 1.260 1.270 1.280 1.290 1.300 1.310 1.320 1.330 1.340 1.350 1.360 1.370 1.380 1.390 1.400 1.410 1.420 1.430 1.440 1.450 1.460 1.470 1.480 1.490 1.500 1.510 1.520 1.530 1.540 1.550 1.560 1.570 1.580 1.590 1.600 1.610 1.620 1.630 1.640 1.650 1.660 1.670 1.680 1.690 1.700 1.710 1.720 1.730 1.740 1.750 1.760 1.770 1.780 1.790 1.800 1.810 1.820 1.830 1.840 1.850 1.860 1.870 1.880 1.890 1.900 1.910 1.920 1.930 1.940 1.950 1.960 1.970 1.980 1.990 2.000 2.010 2.020 2.030 2.040 2.050 2.060 2.070 2.080 2.090 2.100 2.110 2.120 2.130 2.140 2.150 2.160 2.170 2.180 2.190 2.200 2.210 2.220 2.230 2.240 2.250 2.260 2.270 2.280 2.290 2.300 2.310 2.320 2.330 2.340 2.350 2.360 2.370 2.380 2.390 2.400 2.410 2.420 2.430 2.440 2.450 2.460 2.470 2.480 2.490 2.500 2.510 2.520 2.530 2.540 2.550 2.560 2.570 2.580 2.590 2.600 2.610 2.620 2.630 2.640 2.650 2.660 2.670 2.680 2.690 2.700 2.710 2.720 2.730 2.740 2.750 2.760 2.770 2.780 2.790 2.800 2.810 2.820 2.830 2.840 2.850 2.860 2.870 2.880 2.890 2.900 2.910 2.920 2.930 2.940 2.950 2.960 2.970 2.980 2.990 3.000