Match z (H6) (t=400 au)
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 1.843783870384335e+00 | 1.843777430000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 38)