Match z (H1) (t=400 au)
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run intel_autotools: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
2.388644100081982e+00 | 2.388638060000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 23)