Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178869280000000e+00 |
-4.178869200000000e+00 |
2.090000000000000e-06 |
-7.999999951380232e-08 |
PASS |
| Eigenvalues |
-1.739099630000000e+00 |
-1.739099250000000e+00 |
7.480000000000000e-07 |
-3.799999999110071e-07 |
PASS |
| Hartree |
2.706537230000000e+00 |
2.706538100000000e+00 |
1.140000000000000e-06 |
-8.700000000416708e-07 |
PASS |
| Int[n*v_xc] |
-1.309727060000000e+00 |
-1.309727120000000e+00 |
7.150000000000000e-08 |
5.999999985739635e-08 |
PASS |
| Exchange |
-1.002380240000000e+00 |
-1.002380300000000e+00 |
5.010000000000001e-07 |
6.000000007944095e-08 |
PASS |
| Correlation |
-4.057924000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
7.999999999952490e-08 |
PASS |
| Kinetic |
5.869460399999999e-01 |
5.869462100000000e-01 |
3.030000000000000e-07 |
-1.700000000770530e-07 |
PASS |
| External |
-6.429393640000000e+00 |
-6.429393980000000e+00 |
4.840000000000000e-07 |
3.400000005981951e-07 |
PASS |
| Dipole |
-3.269980000000000e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
-3.269980000000000e-07 |
PASS |