Input 14-absorption-spinors.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 | -6.136212670000000e+00 | -6.136214930000000e+00 | 3.070000000000000e-07 | 2.260000000475770e-06 | FAIL |