Match Fz (H) (t=200 au)
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run intel-2022a >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.530246916009353e-03 | 4.530246916387000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 11)