Match y (H5) (t=400 au)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run cmake_foss_2022a_full_mpi >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -2.434730919980137e+00 | -2.434724800000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 34)