Match y (C1) (t=400 au)
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run eb_fosscuda-2022a >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
4.172860461983790e-01 | 4.172809400000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 4)