Input 24-adsic_freeze_orbitals.02-td.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-serial-zen4: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.013509098871805e+00 | -2.013509098871892e+00 | 1.150000000000000e-13 | 8.704148513061227e-14 | PASS |
| Energy [step 100] | -1.989121104550133e+00 | -1.989121104550150e+00 | 4.510000000000000e-14 | 1.709743457922741e-14 | PASS |
| Multipoles [step 0] | 3.438893527616502e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | -7.799539659590928e-16 | PASS |
| Multipoles [step 100] | -1.612839439177020e+00 | -1.612839439176902e+00 | 1.660000000000000e-13 | -1.185718190299667e-13 | PASS |
| Populations [step 0] | 5.453000899540416e-35 | 0.000000000000000e+00 | 1.000000000000000e-04 | 5.453000899540416e-35 | PASS |
| Populations [step 100] | -1.748307636292377e-01 | -1.748307636292393e-01 | 5.950000000000000e-13 | 1.582067810090848e-15 | PASS |
| Ionch [step 0] | 9.999999999999999e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -1.110223024625157e-16 | PASS |
| Ionch [step 100] | 9.999999796208355e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -2.037916446706589e-08 | PASS |
| Projections 1-1 [step 0] | -7.384443716042811e-18 | 0.000000000000000e+00 | 1.000000000000000e-04 | -7.384443716042811e-18 | PASS |
| Projections 1-1 [step 100] | 5.184501854146495e-02 | 5.184501854148654e-02 | 2.760000000000000e-13 | -2.159383782895929e-14 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | -7.580019877122641e-16 | 8.373663656771763e-17 | 1.000000000000000e-04 | -8.417386242799817e-16 | PASS |