Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178846210000000e+00 |
-4.178845955000000e+00 |
8.500000000000000e-07 |
-2.549999997825125e-07 |
PASS |
| Eigenvalues |
-1.739076910000000e+00 |
-1.739077000000000e+00 |
8.700000000000000e-06 |
8.999999989711682e-08 |
PASS |
| Hartree |
2.706538300000000e+00 |
2.706538100000000e+00 |
1.140000000000000e-06 |
2.000000001167734e-07 |
PASS |
| Int[n*v_xc] |
-1.309725330000000e+00 |
-1.309725510000000e+00 |
1.000000000000000e-06 |
1.800000000162782e-07 |
PASS |
| Exchange |
-1.002376980000000e+00 |
-1.002377180000000e+00 |
1.000000000000000e-06 |
2.000000001167734e-07 |
PASS |
| Correlation |
-4.057934000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
-1.999999999641178e-08 |
PASS |
| Kinetic |
5.869313100000000e-01 |
5.869315500000000e-01 |
1.120000000000000e-06 |
-2.399999999846969e-07 |
PASS |
| External |
-6.429359180000000e+00 |
-6.429358890000000e+00 |
1.610000000000000e-06 |
-2.900000000138903e-07 |
PASS |
| Dipole |
6.292280000000000e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
6.292280000000000e-07 |
PASS |