Match Fz (H) (t=200 au)
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.530246916169545e-03 | 4.530246916375000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 8)