Match y (C4) (t=400 au)
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run eb_fosscuda-2022a >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-4.172861028743401e-01 | -4.172809800000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 13)