Match Fz (O) (t=200 au)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run eb_foss-2022b_libxc6 >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-9.060493832338840e-03 | -9.060493832761000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 5)