Input 01-hydrogen.01-ground_state.inp
Commits >
Commit 3f3300a09a325083399ad405019c399609c6d1c2 >
Run intel_mpi_autotools: [intel2023a-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 | -6.697860300000000e-01 | -6.697860300000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| CALC_MODE calls | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |