Match y (H6) (t=400 au)
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-1.689233766770307e+00 | -1.689228270000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 37)