Match y (H4) (t=400 au)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2022a_ppc >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -7.454904847663271e-01 | -7.454872700000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 31)