Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871794e+00 | -2.013509098871849e+00 | 6.590000000000000e-14 | 5.506706202140776e-14 | PASS |
| Energy [step 100] | -1.989121104550114e+00 | -1.989121104550133e+00 | 2.370000000000000e-14 | 1.909583602355269e-14 | PASS |
| Multipoles [step 0] | 0.000000000000000e+00 | 4.218847493575595e-15 | 1.000000000000000e-04 | -4.218847493575595e-15 | PASS |
| Multipoles [step 100] | -1.612839439177034e+00 | -1.612839439176942e+00 | 1.170000000000000e-13 | -9.192646643896296e-14 | PASS |
| Populations [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Populations [step 100] | -1.748307636292374e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | 1.887379141862766e-15 | PASS |
| Ionch [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ionch [step 100] | 9.999999796208362e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916380093208e-08 | PASS |
| Projections 1-1 [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Projections 1-1 [step 100] | 5.184501854146201e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | -2.453592884421596e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | 1.925185071073067e-05 | 8.373663656771763e-17 | 1.000000000000000e-04 | 1.925185071064693e-05 | PASS |