Match y (H1) (t=400 au)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run cmake_foss_2022a_full_mpi >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 7.454913619307818e-01 | 7.454878900000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 22)