Input 05-polarizability.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 |
-1.140216011000000e+01 |
-1.140216086000000e+01 |
8.250000000000000e-07 |
7.499999998827889e-07 |
PASS |
| Free energy |
-1.132495713000000e+01 |
-1.132495793000000e+01 |
8.800000000000000e-07 |
8.000000004670937e-07 |
PASS |
| Eigenvalue |
-3.178125000000000e+00 |
-3.178126000000000e+00 |
1.590000000000000e-05 |
9.999999996956888e-07 |
PASS |
| Occupation |
2.032756000000000e+00 |
2.032756000000000e+00 |
1.020000000000000e-05 |
0.000000000000000e+00 |
PASS |
| Eigenvalue |
-1.837042000000000e+00 |
-1.837042000000000e+00 |
9.190000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Occupation |
-3.273900000000000e-02 |
-3.273900000000000e-02 |
1.640000000000000e-16 |
6.938893903907228e-18 |
PASS |
| Fermi energy |
-2.712717000000000e+00 |
-2.712718000000000e+00 |
1.360000000000000e-05 |
1.000000000139778e-06 |
PASS |