Match Fz (H) (t=200 au)
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run foss-ppc: [foss2022a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.530246916559524e-03 | 4.530246916387000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 11)