Match Fy (H) (t=200 au)
Commits >
Commit fb3b67f6830f0e047754886f078a46875acffbf8 >
Run foss-opt-full: [foss2023a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-1.644354260976919e-16 | 5.219451523246000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 7)