Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178845380000000e+00 |
-4.178845955000000e+00 |
8.500000000000000e-07 |
5.749999996140787e-07 |
PASS |
| Eigenvalues |
-1.739077400000000e+00 |
-1.739077000000000e+00 |
8.700000000000000e-06 |
-4.000000000115023e-07 |
PASS |
| Hartree |
2.706537060000000e+00 |
2.706538100000000e+00 |
1.140000000000000e-06 |
-1.039999999896679e-06 |
PASS |
| Int[n*v_xc] |
-1.309725130000000e+00 |
-1.309725510000000e+00 |
1.000000000000000e-06 |
3.800000001330517e-07 |
PASS |
| Exchange |
-1.002376680000000e+00 |
-1.002377180000000e+00 |
1.000000000000000e-06 |
5.000000000698890e-07 |
PASS |
| Correlation |
-4.057938000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
-5.999999999617422e-08 |
PASS |
| Kinetic |
5.869305300000000e-01 |
5.869315500000000e-01 |
1.120000000000000e-06 |
-1.020000000018229e-06 |
PASS |
| External |
-6.429357430000000e+00 |
-6.429358890000000e+00 |
1.610000000000000e-06 |
1.460000000008677e-06 |
PASS |
| Dipole |
3.123260000000000e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
3.123260000000000e-07 |
PASS |