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

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_min_autotools: [foss2023a-mpi]

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 -7.805470438100000e-01 -7.805470438150000e-01 1.000000000000000e-08 5.000000413701855e-12 PASS
dHF highest occupation number 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-08 0.000000000000000e+00 PASS
dHF total mode occupation 6.669069313500001e-02 6.669029538700000e-02 1.100000000000000e-06 3.977480000083577e-07 PASS
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