Input 06-caetrs.01-gs.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Initial energy | -1.058482984000000e+01 | -1.058482984000000e+01 | 5.290000000000000e-08 | 0.000000000000000e+00 | PASS |