Input 34-walltime.02-restart_gs.inp
Commits >
Commit e0f0cf67f5aef4623762b023982f2615c89cfe99 >
Run intel-parallel-debug: [intel2023a-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 | -3.792394793000000e+01 | -3.792394773000000e+01 | 1.700000000000000e-06 | -1.999999952317921e-07 | PASS |