Input 43-gga_spinors.01-H.inp
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-05 | 0.000000000000000e+00 | PASS |
| Total energy | -4.962022100000000e-01 | -4.962021700000000e-01 | 7.340000000000000e-08 | -3.999999997894577e-08 | PASS |
| Eigenvalue 1 | -2.736000000000000e-01 | -2.736000000000000e-01 | 1.000000000000000e-07 | 0.000000000000000e+00 | PASS |
| Eigenvalue 3 | 1.325950000000000e-01 | 1.325980000000000e-01 | 3.000000000000000e-05 | -3.000000000003000e-06 | PASS |
| <Sx> 1 | 5.000000000000000e-01 | 5.000000000000000e-01 | 2.500000000000000e-05 | 0.000000000000000e+00 | PASS |
| <Sy> 1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 2.500000000000000e-05 | 0.000000000000000e+00 | PASS |
| <Sz> 1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 2.500000000000000e-05 | 0.000000000000000e+00 | PASS |
| <Sx> 1 | 5.000000000000000e-01 | 5.000000000000000e-01 | 2.500000000000000e-05 | 0.000000000000000e+00 | PASS |
| <Sy> 1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 2.500000000000000e-05 | 0.000000000000000e+00 | PASS |
| <Sz> 1 | 0.000000000000000e+00 | 0.000000000000000e+00 | 2.500000000000000e-05 | 0.000000000000000e+00 | PASS |