Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 4.000000000000000e-08 | 0.000000000000000e+00 | PASS |
| Initial energy | -3.744576714000000e+01 | -3.744576068000000e+01 | 1.000000000000000e-04 | -6.460000001595745e-06 | PASS |