Input 16-bomd.01-gs.inp
Matches
Name | Value | Reference | Precision | Difference | Status |
SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
Initial energy | -1.060377305000000e+01 | -1.060377304000000e+01 | 5.300000000000000e-08 | -9.999999051046871e-09 | PASS |