Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp
Commits >
Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 >
Run foss_cmake: [foss2023a-mpi, foss-min-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 |