Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871805e+00 | -2.013509098871892e+00 | 1.150000000000000e-13 | 8.659739592076221e-14 | PASS |
| Energy [step 100] | -1.989121104550135e+00 | -1.989121104550150e+00 | 4.510000000000000e-14 | 1.509903313490213e-14 | PASS |
| Multipoles [step 0] | -8.722808869652823e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | -1.294165636322842e-14 | PASS |
| Multipoles [step 100] | -1.612839439177036e+00 | -1.612839439176902e+00 | 1.660000000000000e-13 | -1.343369859796439e-13 | PASS |
| Populations [step 0] | 2.116907165807116e-35 | 0.000000000000000e+00 | 1.000000000000000e-04 | 2.116907165807116e-35 | PASS |
| Populations [step 100] | -1.748307636292370e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | 2.331468351712829e-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] | 4.600985944128841e-18 | 0.000000000000000e+00 | 1.000000000000000e-04 | 4.600985944128841e-18 | PASS |
| Projections 1-1 [step 100] | 5.184501854146165e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | -2.488981243331523e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | 1.039480630834580e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | 2.021142651574037e-17 | PASS |