Match z (C4) (t=400 au)
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run intel_autotools: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -1.325022533299317e+00 | -1.325015210000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 14)