Match Fx (H) (t=200 au)
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Run cmake_foss_2022a_full_serial >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
8.710019608307140e-03 | 8.710019608157000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 6)