Input 04-octopus_basics-visualization.01-benzene.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 5.000000000000000e-02 | 0.000000000000000e+00 | PASS |
| Total Energy | -9.936649805900000e+02 | -9.936945015700001e+02 | 3.250000000000000e-02 | 2.952098000002934e-02 | PASS |