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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_serial

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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