Match Fz (H) (t=200 au)
Commits >
Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b >
Run spack_foss-2022a_serial >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.530246916169323e-03 | 4.530246916387000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 11)