Match Fy (H) (t=200 au)
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss-mpi-full: [foss2023a-mpi] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
3.411541117093610e-17 | 5.933449656873000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 10)