Input 03-magnetic.05-gs-spinors.inp
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalue 1 | -2.699910000000000e-01 | -2.700070000000000e-01 | 1.000000000000000e-04 | 1.600000000001600e-05 | PASS |
| Eigenvalue 2 | -2.230860000000000e-01 | -2.231010000000000e-01 | 1.000000000000000e-04 | 1.499999999998725e-05 | PASS |
| Eigenvalue 3 | -7.779600000000000e-02 | -7.780200000000000e-02 | 1.000000000000000e-04 | 5.999999999992123e-06 | PASS |
| Eigenvalue 4 | -6.888000000000000e-02 | -6.888600000000000e-02 | 1.000000000000000e-04 | 6.000000000006001e-06 | PASS |
| Eigenvalue 5 | -6.888000000000000e-02 | -6.888600000000000e-02 | 1.000000000000000e-04 | 6.000000000006001e-06 | PASS |
| Total energy | -1.927100620000000e+00 | -1.927155420000000e+00 | 1.000000000000000e-04 | 5.480000000002150e-05 | PASS |
| Free energy | -1.944600390000000e+00 | -1.944655270000000e+00 | 1.000000000000000e-04 | 5.487999999997939e-05 | PASS |
| Fermi energy | -7.667700000000000e-02 | -7.668400000000000e-02 | 1.000000000000000e-04 | 7.000000000007001e-06 | PASS |