Match z (H2) (t=400 au)
Commits >
Commit c7ac96946c926bee5c46ca4221093c1f60753f5a >
Run spack_foss-2022a_serial >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 5.525290040787273e-01 | 5.525258600000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 26)