Match y (C6) (t=400 au)
Commits >
Commit 4b6d45842a438d46c51308ffa6e74b875e60d9e9 >
Run foss-opt-full: [foss2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-9.455131153165417e-01 | -9.455055999999999e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 19)