Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178845980000000e+00 |
-4.178845955000000e+00 |
8.500000000000000e-07 |
-2.500000029215244e-08 |
PASS |
| Eigenvalues |
-1.739077290000000e+00 |
-1.739077000000000e+00 |
8.700000000000000e-06 |
-2.900000000138903e-07 |
PASS |
| Hartree |
2.706537720000000e+00 |
2.706538100000000e+00 |
8.899999999999999e-07 |
-3.799999999110071e-07 |
PASS |
| Int[n*v_xc] |
-1.309725200000000e+00 |
-1.309725510000000e+00 |
1.000000000000000e-06 |
3.100000001143854e-07 |
PASS |
| Exchange |
-1.002376810000000e+00 |
-1.002377180000000e+00 |
1.000000000000000e-06 |
3.700000001938264e-07 |
PASS |
| Correlation |
-4.057937000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
-4.999999999449889e-08 |
PASS |
| Kinetic |
5.869310200000000e-01 |
5.869315500000000e-01 |
1.000000000000000e-06 |
-5.299999999985872e-07 |
PASS |
| External |
-6.429358460000000e+00 |
-6.429358890000000e+00 |
1.400000000000000e-06 |
4.299999991630443e-07 |
PASS |
| Dipole |
-4.873580000000000e-08 |
0.000000000000000e+00 |
5.000000000000000e-06 |
-4.873580000000000e-08 |
PASS |