Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871790e+00 | -2.013509098871892e+00 | 1.150000000000000e-13 | 1.021405182655144e-13 | PASS |
| Energy [step 100] | -1.989121104550112e+00 | -1.989121104550150e+00 | 4.510000000000000e-14 | 3.752553823233029e-14 | PASS |
| Multipoles [step 0] | 5.329070518200751e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | 1.110223024625157e-15 | PASS |
| Multipoles [step 100] | -1.612839439177010e+00 | -1.612839439176902e+00 | 1.660000000000000e-13 | -1.085798118083403e-13 | PASS |
| Populations [step 0] | 1.109335647967044e-31 | 0.000000000000000e+00 | 1.000000000000000e-04 | 1.109335647967044e-31 | PASS |
| Populations [step 100] | -1.748307636292374e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | 1.942890293094024e-15 | PASS |
| Ionch [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 2.220446049250313e-16 | PASS |
| Ionch [step 100] | 9.999999796208363e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916368990977e-08 | PASS |
| Projections 1-1 [step 0] | -3.330669073875470e-16 | 0.000000000000000e+00 | 1.000000000000000e-04 | -3.330669073875470e-16 | PASS |
| Projections 1-1 [step 100] | 5.184501854146267e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | -2.386979502944087e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | 5.695585062609476e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | 4.858218696932300e-16 | PASS |