Match Benzene Energy [step 20]
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Run intel-2022a_omp >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
Value | Reference | Precision | Status |
-3.744343275070418e+01 | -3.744343182885780e+01 | 3.000000000000000e-03 | PASS |
Command: LINEFIELD(benzene/td.general/energy, -1, 3)