Input 20-qedft-breit-2d.03-pxlda-strong.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 |
| Total Energy | 3.002224680000000e+00 | 3.002224680000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Eigenvalues energy | 2.970300990000000e+00 | 2.970301000000000e+00 | 1.000000000000000e-04 | -9.999999939225290e-09 | PASS |
| Photon exchange | 3.631830000000000e-03 | 3.631830000000000e-03 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |