Match Fy (H) (t=200 au)
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-1.644354260976919e-16 | 5.219451523246000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 7)