Match Fx (H) (t=200 au)
Commits >
Commit a4341ac9f169107ec4cef5019cc6269df7c401ac >
Run spack_intel-2023a_serial >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 8.710019608359237e-03 | 8.710019608157000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 6)