Input 12-absorption.01-gs.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cmake: [foss2022a-serial, foss-full]
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 | 4.200000000000000e+01 | 4.400000000000000e+01 | 2.200000000000000e+01 | -2.000000000000000e+00 | PASS |
| IO Profiling files close | 4.300000000000000e+01 | 4.400000000000000e+01 | 2.200000000000000e+01 | -1.000000000000000e+00 | PASS |