Match Fy (H) (t=200 au)
Commits >
Commit 77b19a812457519ffe2e63888ffe5f5b10958dc8 >
Run eb_foss-2022a >
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)