Match z (C5) (t=400 au)
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-opt-full: [foss2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-2.973146144558194e-01 | -2.973097900000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 17)