Input 04-octopus_basics-visualization.01-benzene.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_omp_autotools: [intel2022a-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 | -9.937240225500000e+02 | -9.936945015700001e+02 | 3.250000000000000e-02 | -2.952097999991565e-02 | PASS |