Match y (H2) (t=400 au)
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2022a_serial >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 2.434731949455844e+00 | 2.434725530000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 25)