Input 22-td_move_ions_periodic.01-gs.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Initial energy | -2.965691066000000e+01 | -2.965691066000000e+01 | 1.480000000000000e-07 | 0.000000000000000e+00 | PASS |