Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871788e+00 | -2.013509098871892e+00 | 1.150000000000000e-13 | 1.039168751049147e-13 | PASS |
| Energy [step 100] | -1.989121104550110e+00 | -1.989121104550150e+00 | 4.510000000000000e-14 | 3.996802888650564e-14 | PASS |
| Multipoles [step 0] | -2.664535259100376e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | -6.883382752675971e-15 | PASS |
| Multipoles [step 100] | -1.612839439177042e+00 | -1.612839439176902e+00 | 1.660000000000000e-13 | -1.401101457076948e-13 | PASS |
| Populations [step 0] | 6.933347799794049e-33 | 0.000000000000000e+00 | 1.000000000000000e-04 | 6.933347799794049e-33 | PASS |
| Populations [step 100] | -1.748307636292362e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | 3.108624468950438e-15 | PASS |
| Ionch [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ionch [step 100] | 9.999999796208361e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916391195438e-08 | PASS |
| Projections 1-1 [step 0] | -8.326672684688674e-17 | 0.000000000000000e+00 | 1.000000000000000e-04 | -8.326672684688674e-17 | PASS |
| Projections 1-1 [step 100] | 5.184501854146438e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | -2.216282712907969e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | 2.680147770384167e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | 1.842781404706991e-16 | PASS |