Match z (C2) (t=400 au)
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
Run eb_fosscuda-2022a >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
3.126558438240697e-01 | 3.126510300000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 8)