Input 20-qedft-breit-2d.03-pxlda-strong.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
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 | 2.970300980000000e+00 | 2.970301000000000e+00 | 1.000000000000000e-04 | -1.999999987845058e-08 | PASS |
| Photon exchange | 3.631830000000000e-03 | 3.631830000000000e-03 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |