Input 01-sg15-h.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 |
-4.459930400000000e-01 |
-4.459930300000000e-01 |
2.230000000000000e-07 |
-9.999999994736442e-09 |
PASS |
| Eigenvalues sum |
-2.330965700000000e-01 |
-2.330965600000000e-01 |
1.170000000000000e-07 |
-9.999999994736442e-09 |
PASS |
| Hartree energy |
2.835937000000000e-01 |
2.835937000000000e-01 |
1.420000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Exchange energy |
-1.934950200000000e-01 |
-1.934950200000000e-01 |
9.670000000000000e-08 |
0.000000000000000e+00 |
PASS |
| Correlation energy |
-3.970468000000000e-02 |
-3.970468000000000e-02 |
1.990000000000000e-07 |
0.000000000000000e+00 |
PASS |
| Kinetic energy |
4.209446800000000e-01 |
4.209446700000000e-01 |
2.100000000000000e-07 |
9.999999994736442e-09 |
PASS |
| External energy |
-9.173317100000000e-01 |
-9.173317000000000e-01 |
4.590000000000000e-07 |
-1.000000005024759e-08 |
PASS |
| Non-local energy |
-3.254520000000000e-02 |
-3.254520000000000e-02 |
1.630000000000000e-06 |
0.000000000000000e+00 |
PASS |
| Eigenvalue |
-2.330970000000000e-01 |
-2.330970000000000e-01 |
1.170000000000000e-05 |
0.000000000000000e+00 |
PASS |