Match Benzene Energy [step 20]
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Run spack_foss-2023a_mpi_opt >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
Value | Reference | Precision | Status |
-3.744565857691547e+01 | -3.744565857691556e+01 | 3.740000000000000e-13 | PASS |
Command: LINEFIELD(benzene/td.general/energy, -1, 3)