Input 18-hhg.01-gs.inp
Commits >
Commit 0c0a0ff03fa1c9b5e42984c9b7f40a807c9ec9b7 >
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 |
| Initial energy | -6.697774399999999e-01 | -6.697771600000000e-01 | 1.000000000000000e-04 | -2.799999999636427e-07 | PASS |