Match z (C3) (t=400 au)
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss_cmake: [foss2022a-serial, foss-full] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-1.020052473929683e+00 | -1.020043890000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 11)