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

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Run spack_foss-2023a_valgrind

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 -8.889478818200000e-01 -8.889465539750000e-01 8.700000000000000e-04 -1.327844999954308e-06 PASS
dRDMFT total mode occupation 8.281963357300000e-02 8.322159703800000e-02 2.200000000000000e-03 -4.019634650000020e-04 PASS
dRDMFT highest occupation number 1.925719359091000e+00 1.922992034259500e+00 1.400000000000000e-02 2.727324831500066e-03 PASS
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