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

Commits > Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e > Run intel_mpi_autotools: [intel2023a-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 6.668976127100000e-02 6.669029538700000e-02 1.100000000000000e-06 -5.341159999977529e-07 PASS
Compare to other inputs