Match Fz (H) (t=200 au)
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 4.530246916169323e-03 | 4.530246916387000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 11)