Input 04-jellium.01-ground_state.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total energy | -5.765200000000000e-01 | -5.765203200000000e-01 | 1.000000000000000e-04 | 3.199999999425884e-07 | PASS |
| Eigenvalue [s] | -1.677000000000000e-01 | -1.676980000000000e-01 | 1.000000000000000e-04 | -1.999999999974245e-06 | PASS |
| Eigenvalue [p] | -1.226370000000000e-01 | -1.226360000000000e-01 | 1.000000000000000e-04 | -1.000000000001000e-06 | PASS |