Match y (H6) (t=400 au)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run cmake_foss_2022a_full_serial >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-1.689233766770245e+00 | -1.689228270000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 37)