Match z (C3) (t=400 au)
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_foss-2022a_serial >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -1.020052473929683e+00 | -1.020043890000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 11)