Input 35-slater_x.02-gs_spinors.inp
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_mpi_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 3.070000000000000e-05 | 0.000000000000000e+00 | PASS |
| Sz [4] | -5.000000000000000e-01 | -5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| Total energy | -1.497223286000000e+01 | -1.497223286000000e+01 | 7.490000000000000e-08 | 1.776356839400250e-15 | PASS |
| Exchange energy | -2.515669820000000e+00 | -2.515669820000000e+00 | 1.260000000000000e-07 | 0.000000000000000e+00 | PASS |
| Eigenvalue [1] | -1.053305000000000e+00 | -1.053305000000000e+00 | 5.270000000000000e-06 | 0.000000000000000e+00 | PASS |
| Sx [1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Sy [1] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Sz [1] | -5.000000000000000e-01 | -5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| Eigenvalue [4] | -6.145490000000000e-01 | -6.145490000000000e-01 | 3.070000000000000e-05 | 0.000000000000000e+00 | PASS |
| Sx [4] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Sy [4] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue [6] | -4.583040000000000e-01 | -4.583040000000000e-01 | 2.290000000000000e-05 | 0.000000000000000e+00 | PASS |
| Sx [6] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Sy [6] | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Sz [4] | -5.000000000000000e-01 | -5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |
| Sz [6] | 5.000000000000000e-01 | 5.000000000000000e-01 | 2.500000000000000e+00 | 0.000000000000000e+00 | PASS |