Match z (H3) (t=400 au)
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run spack_intel-2023a_serial_omp >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -1.828441781078720e+00 | -1.828435580000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 29)