Input 34-walltime.02-restart_gs.inp
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Reading States | 1.000000000000000e+00 | 1.000000000000000e+00 | 7.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 7.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| Initial energy | -3.792394751000000e+01 | -3.792394773000000e+01 | 1.700000000000000e-06 | 2.200000039920269e-07 | PASS |