Match z (C2) (t=400 au)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Run spack_foss-2023b_serial >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
3.126558438240384e-01 | 3.126510300000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 8)