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

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss_mpi_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
dRDMFT converged energy -8.889798943800000e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.334040500002633e-05 PASS
dRDMFT total mode occupation 8.304627209200000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.753249460000050e-04 PASS
dRDMFT highest occupation number 1.924037289795000e+00 1.922992034259500e+00 1.400000000000000e-02 1.045255535500056e-03 PASS
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