Match z (C2) (t=400 au)
Commits >
Commit 4b7a334ce1857269604388697d6e11d007df5aba >
Run foss-2022a_omp >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
3.126558438240449e-01 | 3.126510300000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 8)