Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871799e+00 | -2.013509098871892e+00 | 1.150000000000000e-13 | 9.325873406851315e-14 | PASS |
| Energy [step 100] | -1.989121104550135e+00 | -1.989121104550150e+00 | 4.510000000000000e-14 | 1.487698852997710e-14 | PASS |
| Multipoles [step 0] | -8.013085975087173e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | -1.223193346866277e-14 | PASS |
| Multipoles [step 100] | -1.612839439177038e+00 | -1.612839439176902e+00 | 1.660000000000000e-13 | -1.363353874239692e-13 | PASS |
| Populations [step 0] | 3.547210770991693e-34 | 0.000000000000000e+00 | 1.000000000000000e-04 | 3.547210770991693e-34 | PASS |
| Populations [step 100] | -1.748307636292354e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | 3.913536161803677e-15 | PASS |
| Ionch [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -1.110223024625157e-16 | PASS |
| Ionch [step 100] | 9.999999796208358e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916424502129e-08 | PASS |
| Projections 1-1 [step 0] | 1.883404038169105e-17 | 0.000000000000000e+00 | 1.000000000000000e-04 | 1.883404038169105e-17 | PASS |
| Projections 1-1 [step 100] | 5.184501854147024e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | -1.630640067418199e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | -1.819104829825228e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | -2.656471195502405e-16 | PASS |