Match Fz (O) (t=200 au)
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss-opt-full: [foss2023a-serial] >
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)