Match y (C2) (t=400 au)
Commits >
Commit c7ac96946c926bee5c46ca4221093c1f60753f5a >
Run spack_foss-2023a_serial >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 1.362785690643765e+00 | 1.362777810000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 7)