Match y (H3) (t=400 au)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run cmake_foss_2022a_full_mpi >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 1.689234577910666e+00 | 1.689228840000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 28)