Match z (H3) (t=400 au)
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-serial-zen4: [foss2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -1.828441781078587e+00 | -1.828435580000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 29)