Input 16-dressed-rdmft.02-hf.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2022a_mpi_min

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
dHF converged energy -7.805470438000000e-01 -7.805470438150000e-01 1.000000000000000e-08 1.500000124110556e-11 PASS
dHF highest occupation number 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-08 0.000000000000000e+00 PASS
dHF total mode occupation 6.668976086900000e-02 6.669029538700000e-02 1.100000000000000e-06 -5.345180000004834e-07 PASS
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