Match z (C4) (t=400 au)
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run foss-2022a_opt >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -1.325022533299309e+00 | -1.325015210000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 14)