Match y (H2) (t=400 au)
Commits >
Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 >
Run cmake_foss_2022a_full_mpi >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 2.434731949455844e+00 | 2.434725530000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 25)