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

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_serial_omp

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 -8.889761750300000e-01 -8.889465539750000e-01 8.700000000000000e-04 -2.962105500003975e-05 PASS
dRDMFT total mode occupation 8.318884170800001e-02 8.322159703800000e-02 2.200000000000000e-03 -3.275532999999498e-05 PASS
dRDMFT highest occupation number 1.923195158076000e+00 1.922992034259500e+00 1.400000000000000e-02 2.031238165001170e-04 PASS
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