Input 04-octopus_basics-visualization.01-benzene.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
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 |