Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871793e+00 | -2.013509098871892e+00 | 1.150000000000000e-13 | 9.947598300641403e-14 | PASS |
| Energy [step 100] | -1.989121104550114e+00 | -1.989121104550150e+00 | 4.510000000000000e-14 | 3.574918139293004e-14 | PASS |
| Multipoles [step 0] | 3.552713678800501e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | -6.661338147750939e-16 | PASS |
| Multipoles [step 100] | -1.612839439177040e+00 | -1.612839439176902e+00 | 1.660000000000000e-13 | -1.378896996584444e-13 | PASS |
| Populations [step 0] | 1.972152263052519e-31 | 0.000000000000000e+00 | 1.000000000000000e-04 | 1.972152263052519e-31 | PASS |
| Populations [step 100] | -1.748307636292380e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | 1.276756478318930e-15 | PASS |
| Ionch [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ionch [step 100] | 9.999999796208361e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916391195438e-08 | PASS |
| Projections 1-1 [step 0] | -4.440892098500626e-16 | 0.000000000000000e+00 | 1.000000000000000e-04 | -4.440892098500626e-16 | PASS |
| Projections 1-1 [step 100] | 5.184501854146342e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | -2.312039448781888e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | -5.464378949326942e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | -6.301745315004119e-16 | PASS |