Input 07-user_def_box.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 |
| Total energy |
2.385879700000000e-01 |
2.385879700000000e-01 |
2.000000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Eigenvalue |
2.385880000000000e-01 |
2.385880000000000e-01 |
2.000000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Dipole x |
-1.950440000000000e+00 |
-1.950440000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |
| Dipole y |
1.950440000000000e+00 |
1.950440000000000e+00 |
1.000000000000000e-04 |
0.000000000000000e+00 |
PASS |