Match z (H4) (t=400 au)
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-mpi-full: [foss2023a-mpi] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -2.373301794232870e+00 | -2.373296060000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 32)