Input 12-absorption.01-gs.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_mpi_min_autotools: [foss2022a-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 | -5.810136910000000e+00 | -5.810136910000000e+00 | 2.910000000000000e-07 | 0.000000000000000e+00 | PASS |
| IO Profiling files open | 4.500000000000000e+01 | 4.400000000000000e+01 | 2.200000000000000e+01 | 1.000000000000000e+00 | PASS |
| IO Profiling files close | 4.600000000000000e+01 | 4.400000000000000e+01 | 2.200000000000000e+01 | 2.000000000000000e+00 | PASS |