Input 34-walltime.02-restart_gs.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
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 | -3.792394728000000e+01 | -3.792394773000000e+01 | 1.700000000000000e-06 | 4.500000017060302e-07 | PASS |