Input 34-walltime.02-restart_gs.inp
Commits >
Commit f484e314acc228329e17ffb1f42ae4a074ecf8ad >
Run foss_min_autotools: [foss2023b-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 | -3.792394809000000e+01 | -3.792394773000000e+01 | 1.700000000000000e-06 | -3.600000013648241e-07 | PASS |