Input 06-octopus_basics-periodic_systems.01-silicon.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 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Space group | 2.270000000000000e+02 | 2.270000000000000e+02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Number of k-points | 2.000000000000000e+00 | 2.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Number of SCF iterations | 1.300000000000000e+01 | 1.300000000000000e+01 | 1.000000000000000e-01 | 0.000000000000000e+00 | PASS |
| Total Energy | -7.929303680000000e+00 | -7.929303680000000e+00 | 3.960000000000000e-07 | 0.000000000000000e+00 | PASS |