Match z (C2) (t=400 au)
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel-serial: [intel2023a-serial] >
Input 11-dftbplus_ehrenfest.01-benzene.inp
Value | Reference | Precision | Status |
3.126558438240416e-01 | 3.126510300000000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(benzene/td.general/coordinates, -1, 8)