Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871790e+00 | -2.013509098871892e+00 | 1.150000000000000e-13 | 1.016964290556643e-13 | PASS |
| Energy [step 100] | -1.989121104550111e+00 | -1.989121104550150e+00 | 4.510000000000000e-14 | 3.885780586188048e-14 | PASS |
| Multipoles [step 0] | 4.440892098500626e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | 2.220446049250313e-16 | PASS |
| Multipoles [step 100] | -1.612839439177034e+00 | -1.612839439176902e+00 | 1.660000000000000e-13 | -1.321165399303936e-13 | PASS |
| Populations [step 0] | 6.240013019814637e-32 | 0.000000000000000e+00 | 1.000000000000000e-04 | 6.240013019814637e-32 | PASS |
| Populations [step 100] | -1.748307636292368e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | 2.525757381022231e-15 | PASS |
| Ionch [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -1.110223024625157e-16 | PASS |
| Ionch [step 100] | 9.999999796208360e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916402297668e-08 | PASS |
| Projections 1-1 [step 0] | -2.498001805406602e-16 | 0.000000000000000e+00 | 1.000000000000000e-04 | -2.498001805406602e-16 | PASS |
| Projections 1-1 [step 100] | 5.184501854146405e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | -2.249589403646723e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | -4.397524011601206e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | -5.234890377278382e-16 | PASS |