Match z (H1) (t=400 au)
Commits >
Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
2.388644100082011e+00 | 2.388638060000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 23)