Input 16-dressed-rdmft.03-rdmft.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022a_mpi_debug

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
dRDMFT converged energy -8.889812507400000e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.469676500000851e-05 PASS
dRDMFT total mode occupation 8.308102364700000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.405733910000012e-04 PASS
dRDMFT highest occupation number 1.923801318172000e+00 1.922992034259500e+00 1.400000000000000e-02 8.092839125000140e-04 PASS
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