Input 04-lithium.01-ground_state.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.178869520000000e+00 |
-4.178869200000000e+00 |
2.090000000000000e-06 |
-3.199999998315661e-07 |
PASS |
| Eigenvalues |
-1.739099740000000e+00 |
-1.739099250000000e+00 |
7.480000000000000e-07 |
-4.899999999086191e-07 |
PASS |
| Hartree |
2.706537360000000e+00 |
2.706538100000000e+00 |
1.140000000000000e-06 |
-7.399999999435636e-07 |
PASS |
| Int[n*v_xc] |
-1.309727100000000e+00 |
-1.309727120000000e+00 |
7.150000000000000e-08 |
1.999999987845058e-08 |
PASS |
| Exchange |
-1.002380290000000e+00 |
-1.002380300000000e+00 |
5.010000000000001e-07 |
9.999999939225290e-09 |
PASS |
| Correlation |
-4.057922000000000e-02 |
-4.057932000000000e-02 |
1.000000000000000e-06 |
1.000000000028756e-07 |
PASS |
| Kinetic |
5.869461200000000e-01 |
5.869462100000000e-01 |
3.030000000000000e-07 |
-9.000000000813912e-08 |
PASS |
| External |
-6.429393830000000e+00 |
-6.429393980000000e+00 |
4.840000000000000e-07 |
1.499999999765578e-07 |
PASS |
| Dipole |
-5.189830000000000e-07 |
0.000000000000000e+00 |
5.000000000000000e-06 |
-5.189830000000000e-07 |
PASS |