Input 01-octopus_basics-getting_started.03-H_atom_independent.inp
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue | -5.009140000000000e-01 | -5.008910000000000e-01 | 1.000000000000000e-04 | -2.299999999999525e-05 | PASS |
| Total Energy | -5.009144300000000e-01 | -5.008908100000000e-01 | 1.000000000000000e-04 | -2.362000000000197e-05 | PASS |