Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178845850000000e+00 |
-4.178845955000000e+00 |
8.080000000000000e-07 |
1.049999998059548e-07 |
PASS |
| Eigenvalues |
-1.739076790000000e+00 |
-1.739077000000000e+00 |
8.700000000000000e-06 |
2.100000000559987e-07 |
PASS |
| Hartree |
2.706538110000000e+00 |
2.706538100000000e+00 |
8.360000000000000e-07 |
9.999999939225290e-09 |
PASS |
| Int[n*v_xc] |
-1.309725360000000e+00 |
-1.309725510000000e+00 |
1.000000000000000e-06 |
1.499999999765578e-07 |
PASS |
| Exchange |
-1.002376970000000e+00 |
-1.002377180000000e+00 |
1.000000000000000e-06 |
2.100000000559987e-07 |
PASS |
| Correlation |
-4.057934000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
-1.999999999641178e-08 |
PASS |
| Kinetic |
5.869311600000000e-01 |
5.869315500000000e-01 |
1.000000000000000e-06 |
-3.899999999612547e-07 |
PASS |
| External |
-6.429358850000000e+00 |
-6.429358890000000e+00 |
1.200000000000000e-06 |
3.999999975690116e-08 |
PASS |
| Dipole |
-1.147150000000000e-06 |
0.000000000000000e+00 |
5.000000000000000e-06 |
-1.147150000000000e-06 |
PASS |