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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2022a_serial_min

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 -8.889806917700001e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.413779500005543e-05 PASS
dRDMFT total mode occupation 8.304417736500000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.774196730000011e-04 PASS
dRDMFT highest occupation number 1.923992239391000e+00 1.922992034259500e+00 1.400000000000000e-02 1.000205131500120e-03 PASS
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