Input 04-lithium.01-ground_state.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run intel-min-parallel: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -4.178869920000000e+00 | -4.178869200000000e+00 | 2.090000000000000e-06 | -7.200000000651130e-07 | PASS |
| Eigenvalues | -1.739099850000000e+00 | -1.739099250000000e+00 | 7.480000000000000e-07 | -5.999999999062311e-07 | PASS |
| Hartree | 2.706537670000000e+00 | 2.706538100000000e+00 | 1.140000000000000e-06 | -4.300000000512227e-07 | PASS |
| Int[n*v_xc] | -1.309727180000000e+00 | -1.309727120000000e+00 | 7.150000000000000e-08 | -6.000000030148556e-08 | PASS |
| Exchange | -1.002380390000000e+00 | -1.002380300000000e+00 | 5.010000000000001e-07 | -8.999999989711682e-08 | PASS |
| Correlation | -4.057920000000000e-02 | -4.057932000000000e-02 | 1.000000000000000e-06 | 1.199999999992873e-07 | PASS |
| Kinetic | 5.869464000000000e-01 | 5.869462100000000e-01 | 3.030000000000000e-07 | 1.899999999555035e-07 | PASS |
| External | -6.429394330000000e+00 | -6.429393980000000e+00 | 4.840000000000000e-07 | -3.499999996492420e-07 | PASS |
| Dipole | 7.436309999999999e-08 | 0.000000000000000e+00 | 5.000000000000000e-06 | 7.436309999999999e-08 | PASS |