Match y (H5) (t=400 au)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_autotools: [foss2023b-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
| Value | Reference | Precision | Status |
| -2.434730919980137e+00 | -2.434724800000000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 34)