Match z (C5) (t=400 au)
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Run spack_intel-2022a_serial_omp >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-2.973146144557995e-01 | -2.973097900000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 17)