Match y (C2) (t=400 au)
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 1.362785690643721e+00 | 1.362777810000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 7)