Match z (H3) (t=400 au)
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
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)