Match y (H6) (t=400 au)
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -1.689233766770214e+00 | -1.689228270000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 37)