Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.002259026478490e+00 | -2.002259026478495e+00 | 1.000000000000000e-04 | 4.884981308350689e-15 | PASS |
| Energy [step 100] | -1.975208529592940e+00 | -1.975208529592941e+00 | 1.000000000000000e-04 | 1.332267629550188e-15 | PASS |
| Multipoles [step 0] | -4.697644725472350e-16 | 4.218847493575595e-15 | 1.000000000000000e-04 | -4.688611966122830e-15 | PASS |
| Multipoles [step 100] | -1.775880236283140e+00 | -1.775880236283155e+00 | 1.000000000000000e-04 | 1.509903313490213e-14 | PASS |
| Populations [step 0] | 2.391081164846608e-35 | 0.000000000000000e+00 | 1.000000000000000e-04 | 2.391081164846608e-35 | PASS |
| Populations [step 100] | -1.723863675538927e-01 | -1.723863675538920e-01 | 1.000000000000000e-04 | -7.216449660063518e-16 | PASS |
| Ionch [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ionch [step 100] | 9.999999807596134e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -1.924038661726968e-08 | PASS |
| Projections 1-1 [step 0] | -4.889868264939872e-18 | 0.000000000000000e+00 | 1.000000000000000e-04 | -4.889868264939872e-18 | PASS |
| Projections 1-1 [step 100] | 7.315214730048213e-02 | 7.315214730048247e-02 | 1.000000000000000e-04 | -3.469446951953614e-16 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | -1.335737076502141e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | -2.173103442179318e-16 | PASS |