Match y (H5) (t=400 au)
Commits >
Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa >
Run spack_intel-2023a_serial_omp >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-2.434730919980150e+00 | -2.434724800000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 34)