Match Fy (O) (t=200 au)
Commits >
Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 >
Run eb_foss-2022b_libxc6 >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
1.303200149267558e-16 | -1.115290118012000e-16 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 4)