Match y (H6) (t=400 au)
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run spack_foss-2023a_serial_omp >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -1.689233766770250e+00 | -1.689228270000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 37)