Match z (C4) (t=400 au)
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
-1.325022533299300e+00 | -1.325015210000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 14)