Input 12-tddft-currents-to-maxwell.01-benzene-gs.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run GCI_foss_mpi_autotools: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 4.000000000000000e-08 0.000000000000000e+00 PASS
Initial energy -3.744576714000000e+01 -3.744576068000000e+01 1.000000000000000e-04 -6.460000001595745e-06 PASS
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