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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_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 -8.889815286000000e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.497462500001713e-05 PASS
dRDMFT total mode occupation 8.302205760500000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.995394329999955e-04 PASS
dRDMFT highest occupation number 1.924205266152000e+00 1.922992034259500e+00 1.400000000000000e-02 1.213231892500000e-03 PASS
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