Match z (C5) (t=400 au)
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Run spack_foss-2022a_cuda_serial >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -2.973146144558229e-01 | -2.973097900000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 17)