Match z (H1) (t=400 au)
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run cmake_foss_2022a_full_serial >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
2.388644100081991e+00 | 2.388638060000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 23)