Match Fz (H) (t=200 au)
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_opt_autotools: [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)