Match y (C6) (t=400 au)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_omp_autotools: [foss2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-9.455131153165197e-01 | -9.455055999999999e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 19)