Match y (H4) (t=400 au)
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run cmake_foss_2022a_full_mpi >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -7.454904847664562e-01 | -7.454872700000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 31)