Match z (C6) (t=400 au)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run eb_intel-2022a >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
1.035393735233167e+00 | 1.035385160000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 20)