Match z (H2) (t=400 au)
Commits >
Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f >
Run foss-mpi-opt-full: [foss2023a-mpi] >
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)