Match Fx (O) (t=200 au)
Commits >
Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-4.163336342344337e-17 | 5.599062880002000e-13 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 3)