Input 12-absorption.01-gs.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-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 | -5.816213230000000e+00 | -5.816213230000001e+00 | 2.910000000000000e-07 | 8.881784197001252e-16 | PASS |
| IO Profiling files open | 4.900000000000000e+01 | 4.900000000000000e+01 | 1.001000000000000e+00 | 0.000000000000000e+00 | PASS |
| IO Profiling files close | 5.000000000000000e+01 | 5.000000000000000e+01 | 1.001000000000000e+00 | 0.000000000000000e+00 | PASS |