Match z (O) (t=200 au)
Commits >
Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-3.468238009257151e-01 | -3.468238009257000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 5)