Match z (O) (t=200 au)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run eb_foss-2022b_libxc6 >
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)