Match z (H2) (t=400 au)
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
5.525290040787273e-01 | 5.525258600000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 26)