Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-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 |