Match Fz (H) (t=200 au)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run cmake_foss_2022a_full_serial >
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)