Input 02-cosine_potential.01-ground_state.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total k-points | 6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalues sum | -2.659881100000000e-01 | -2.659878600000000e-01 | 1.000000000000000e-04 | -2.499999999794333e-07 | PASS |
| Hartree energy | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Exchange energy | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Correlation energy | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Kinetic energy | 6.357667000000000e-02 | 6.357692000000000e-02 | 1.000000000000000e-04 | -2.499999999933111e-07 | PASS |
| External energy | -3.295647900000000e-01 | -3.295647800000000e-01 | 1.000000000000000e-04 | -9.999999994736442e-09 | PASS |