Input 16-sparskit.01-gs.inp
Commits >
Commit b45a8fef6ff6ab58f3c67555688c7395ac2833ed >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Initial energy | -1.060686763000000e+01 | -1.060686763000000e+01 | 5.300000000000000e-08 | 0.000000000000000e+00 | PASS |