Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871891e+00 | -2.013509098871892e+00 | 1.150000000000000e-13 | 8.881784197001252e-16 | PASS |
| Energy [step 100] | -1.989121104550160e+00 | -1.989121104550150e+00 | 4.510000000000000e-14 | -9.547918011776346e-15 | PASS |
| Multipoles [step 0] | -1.159669125340380e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | -5.378516618915974e-15 | PASS |
| Multipoles [step 100] | -1.612839439176880e+00 | -1.612839439176902e+00 | 1.660000000000000e-13 | 2.153832667772804e-14 | PASS |
| Populations [step 0] | 9.748570401445390e-35 | 0.000000000000000e+00 | 1.000000000000000e-04 | 9.748570401445390e-35 | PASS |
| Populations [step 100] | -1.748307636292466e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | -7.271960811294775e-15 | PASS |
| Ionch [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 2.220446049250313e-16 | PASS |
| Ionch [step 100] | 9.999999796208324e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916757569036e-08 | PASS |
| Projections 1-1 [step 0] | 9.873484897160369e-18 | 0.000000000000000e+00 | 1.000000000000000e-04 | 9.873484897160369e-18 | PASS |
| Projections 1-1 [step 100] | 5.184501854149827e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | 1.172673069760322e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | 2.022748080219485e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | 1.185381714542309e-16 | PASS |