Input 04-lithium.01-ground_state.inp
Commits >
Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 >
Run foss-cmake-zen4: [foss2023a-serial, ci-foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -4.178869280000000e+00 | -4.178869200000000e+00 | 2.090000000000000e-06 | -7.999999951380232e-08 | PASS |
| Eigenvalues | -1.739099490000000e+00 | -1.739099250000000e+00 | 7.480000000000000e-07 | -2.400000000957192e-07 | PASS |
| Hartree | 2.706537360000000e+00 | 2.706538100000000e+00 | 1.140000000000000e-06 | -7.399999999435636e-07 | PASS |
| Int[n*v_xc] | -1.309727080000000e+00 | -1.309727120000000e+00 | 7.150000000000000e-08 | 3.999999975690116e-08 | PASS |
| Exchange | -1.002380250000000e+00 | -1.002380300000000e+00 | 5.010000000000001e-07 | 4.999999991817106e-08 | PASS |
| Correlation | -4.057926000000000e-02 | -4.057932000000000e-02 | 1.000000000000000e-06 | 6.000000000311312e-08 | PASS |
| Kinetic | 5.869459500000000e-01 | 5.869462100000000e-01 | 3.030000000000000e-07 | -2.599999999741698e-07 | PASS |
| External | -6.429393650000000e+00 | -6.429393980000000e+00 | 4.840000000000000e-07 | 3.300000006589698e-07 | PASS |
| Dipole | -1.080910000000000e-06 | 0.000000000000000e+00 | 5.000000000000000e-06 | -1.080910000000000e-06 | PASS |