Match y (H4) (t=400 au)
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -7.454904847662793e-01 | -7.454872700000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 31)