Match y (C3) (t=400 au)
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run intel-serial: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
9.455131180888139e-01 | 9.455055999999999e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 10)