Input 15-electronic_system_restart.01-gs.inp
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 4.000000000000000e-08 | 0.000000000000000e+00 | PASS |
| Initial energy | -1.060686609000000e+01 | -1.060686609000000e+01 | 5.300000000000000e-08 | 0.000000000000000e+00 | PASS |