Input 34-walltime.02-restart_gs.inp
Commits >
Commit 81aaf54c0a876807db604366b921af6af05ee8c1 >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Reading States | 1.000000000000000e+00 | 1.000000000000000e+00 | 7.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 7.000000000000000e-06 | 0.000000000000000e+00 | PASS |
| Initial energy | -3.792394789000000e+01 | -3.792394773000000e+01 | 1.700000000000000e-06 | -1.599999990276046e-07 | PASS |