Match y (H3) (t=400 au)
Commits >
Commit f2f698c8a25f386898063905e7c5eb25847969e0 >
Run foss-2022a_opt >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
1.689234577910666e+00 | 1.689228840000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 28)