Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.002259026478485e+00 | -2.002259026478495e+00 | 1.000000000000000e-04 | 1.021405182655144e-14 | PASS |
| Energy [step 100] | -1.975208529592922e+00 | -1.975208529592941e+00 | 1.000000000000000e-04 | 1.953992523340276e-14 | PASS |
| Multipoles [step 0] | 4.979836050600447e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | 7.609885570248521e-16 | PASS |
| Multipoles [step 100] | -1.775880236283158e+00 | -1.775880236283155e+00 | 1.000000000000000e-04 | -2.664535259100376e-15 | PASS |
| Populations [step 0] | 5.480644191231050e-36 | 0.000000000000000e+00 | 1.000000000000000e-04 | 5.480644191231050e-36 | PASS |
| Populations [step 100] | -1.723863675538933e-01 | -1.723863675538920e-01 | 1.000000000000000e-04 | -1.276756478318930e-15 | PASS |
| Ionch [step 0] | 9.999999999999982e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -1.776356839400250e-15 | PASS |
| Ionch [step 100] | 9.999999807596121e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -1.924038794953731e-08 | PASS |
| Projections 1-1 [step 0] | -2.341077570528377e-18 | 0.000000000000000e+00 | 1.000000000000000e-04 | -2.341077570528377e-18 | PASS |
| Projections 1-1 [step 100] | 7.315214730047874e-02 | 7.315214730048247e-02 | 1.000000000000000e-04 | -3.733124920302089e-15 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | -5.580938114292578e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | -6.418304479969754e-16 | PASS |