Match y (H2) (t=400 au)
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run intel_autotools: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 2.434731949455775e+00 | 2.434725530000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 25)