Input 34-walltime.02-restart_gs.inp
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 | -3.792394791000000e+01 | -3.792394773000000e+01 | 1.700000000000000e-06 | -1.800000006824121e-07 | PASS |