Match z (H) (t=200 au)
Commits >
Commit 2b00e292f829221e67a290b840b53bb41bb59499 >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 7.390503166186505e-01 | 7.390503166185000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 11)