Input 05-forces.02-Na2_go.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Total energy | -3.599812200000000e-01 | -3.599812200000000e-01 | 1.800000000000000e-07 | 0.000000000000000e+00 | PASS |
| Force [1] | -8.042444050000000e-05 | -8.042444050000000e-05 | 4.020000000000000e-12 | 0.000000000000000e+00 | PASS |
| Force [2] | 8.042444050000000e-05 | 8.042444050000000e-05 | 4.020000000000000e-12 | 0.000000000000000e+00 | PASS |
| Geometry [1] | -1.385826000000000e+00 | -1.385826000000000e+00 | 6.930000000000000e-06 | 0.000000000000000e+00 | PASS |
| Geometry [2] | 1.385826000000000e+00 | 1.385826000000000e+00 | 6.930000000000000e-06 | 0.000000000000000e+00 | PASS |