Match y (H1) (t=400 au)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_intel-2022a_serial_omp >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| 7.454913619307018e-01 | 7.454878900000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 22)