Match y (C1) (t=400 au)
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Run spack_intel-2022a_serial_omp >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
4.172860461983774e-01 | 4.172809400000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 4)