Match y (C1) (t=400 au)
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 4.172860461983774e-01 | 4.172809400000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 4)