Match z (C2) (t=400 au)
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
Run intel_autotools: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
3.126558438240416e-01 | 3.126510300000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 8)