Input 20-eigensolver.03-plan.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| SCF convergence |
1.000000000000000e+00 |
1.000000000000000e+00 |
4.810000000000000e-02 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 1 |
-1.453825200000000e+01 |
-1.453825250000000e+01 |
1.650000000000000e-06 |
5.000000005139782e-07 |
PASS |
| Eigenvalue 2 |
-8.140946000000000e+00 |
-8.140946000000000e+00 |
1.100000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue 3 |
-8.140945000000000e+00 |
-8.140945500000001e+00 |
1.650000000000000e-06 |
5.000000005139782e-07 |
PASS |
| Eigenvalue 4 |
-8.106232000000000e+00 |
-8.106231999999999e+00 |
1.100000000000000e-06 |
-1.776356839400250e-15 |
PASS |
| Partial charge 1 |
4.157000000000000e+00 |
4.157000000000000e+00 |
2.080000000000000e-02 |
0.000000000000000e+00 |
PASS |
| Partial charge 2 |
9.610000000000000e-01 |
9.610000000000000e-01 |
4.810000000000000e-02 |
0.000000000000000e+00 |
PASS |
| Partial charge 3 |
9.610000000000000e-01 |
9.610000000000000e-01 |
4.810000000000000e-02 |
0.000000000000000e+00 |
PASS |
| Partial charge 4 |
9.610000000000000e-01 |
9.610000000000000e-01 |
4.810000000000000e-02 |
0.000000000000000e+00 |
PASS |