Input 24-adsic_freeze_orbitals.02-td.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -2.002259026478496e+00 | -2.002259026478495e+00 | 1.000000000000000e-04 | -8.881784197001252e-16 | PASS |
| Energy [step 100] | -1.975208529592936e+00 | -1.975208529592941e+00 | 1.000000000000000e-04 | 4.884981308350689e-15 | PASS |
| Multipoles [step 0] | 5.329070518200751e-15 | 4.218847493575595e-15 | 1.000000000000000e-04 | 1.110223024625157e-15 | PASS |
| Multipoles [step 100] | -1.775880236283121e+00 | -1.775880236283155e+00 | 1.000000000000000e-04 | 3.397282455352979e-14 | PASS |
| Populations [step 0] | 1.109335647967044e-31 | 0.000000000000000e+00 | 1.000000000000000e-04 | 1.109335647967044e-31 | PASS |
| Populations [step 100] | -1.723863675538942e-01 | -1.723863675538920e-01 | 1.000000000000000e-04 | -2.248201624865942e-15 | PASS |
| Ionch [step 0] | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ionch [step 100] | 9.999999807596135e-01 | 1.000000000000000e+00 | 1.000000000000000e-04 | -1.924038650624738e-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] | 7.315214730048147e-02 | 7.315214730048247e-02 | 1.000000000000000e-04 | -9.992007221626409e-16 | PASS |
| Ly [step 0] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Ly [step 100] | 1.486658018912124e-15 | 8.373663656771763e-17 | 1.000000000000000e-04 | 1.402921382344406e-15 | PASS |