Match y (C4) (t=400 au)
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
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)