Match z (H5) (t=400 au)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run intel-serial: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-5.371868782914719e-01 | -5.371839899999999e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 35)