Input 17-absorption-spin_symmetry.01-gs.inp

Commits > Commit ff858744384f796bd1ad65ff45f26dd2d219c42c > Run intel_autotools: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Initial energy -1.129907420000000e+01 -1.129907420000000e+01 5.650000000000000e-07 0.000000000000000e+00 PASS
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