Match Fz (H) (t=200 au)
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run foss-serial-full: [foss2023a-serial] >
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)