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

Commits > Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c > Run foss-mpi-opt-full: [foss2023a-mpi]

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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