Input 21-scissor.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 | -4.174917300000000e-01 | -4.174745000000000e-01 | 1.000000000000000e-04 | -1.722999999997921e-05 | PASS |