Input 24-adsic_freeze_orbitals.02-td.inp
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871876e+00 | -2.013509098871849e+00 | 6.590000000000000e-14 | -2.708944180085382e-14 | PASS |
| Energy [step 100] | -1.989121104550146e+00 | -1.989121104550133e+00 | 2.370000000000000e-14 | -1.332267629550188e-14 | PASS |
| Multipoles [step 0] | 3.033848539554515e-16 | 4.218847493575595e-15 | 1.000000000000000e-04 | -3.915462639620143e-15 | PASS |
| Multipoles [step 100] | -1.612839439176877e+00 | -1.612839439176942e+00 | 1.170000000000000e-13 | 6.461498003318411e-14 | PASS |
| Populations [step 0] | 2.214895472507650e-36 | 0.000000000000000e+00 | 1.000000000000000e-04 | 2.214895472507650e-36 | PASS |
| Populations [step 100] | -1.748307636292410e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | -1.720845688168993e-15 | PASS |
| Ionch [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 4.440892098500626e-16 | PASS |
| Ionch [step 100] | 9.999999796208303e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916968511411e-08 | PASS |
| Projections 1-1 [step 0] | -1.488252489501580e-18 | 0.000000000000000e+00 | 1.000000000000000e-04 | -1.488252489501580e-18 | PASS |
| Projections 1-1 [step 100] | 5.184501854151093e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | 2.438327317833000e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | 2.608757046070248e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | 1.771390680393071e-16 | PASS |