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

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run cmake_foss_2022a_min_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 -3.744576068000000e+01 -3.744576068000000e+01 1.000000000000000e-04 0.000000000000000e+00 PASS
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