Match Fx (H) (t=200 au)
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run foss-mpi-opt-full: [foss2023a-mpi] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -8.710019608307112e-03 | -8.710019608717000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 9)