Match Fz (H) (t=200 au)
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss-serial-full: [foss2023b-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)