Input 20-qedft-breit-2d.03-pxlda-strong.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_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 |