Match y (C3) (t=400 au)
Commits >
Commit 16cdfcecc1be9b3eac0dbe4ff8b1dc79e6b9a001 >
Run foss_autotools: [foss2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
9.455131180888308e-01 | 9.455055999999999e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 10)