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

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi_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 -8.889795506700000e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.299669500000935e-05 PASS
dRDMFT total mode occupation 8.297708266700000e-02 8.322159703800000e-02 2.200000000000000e-03 -2.445143709999958e-04 PASS
dRDMFT highest occupation number 1.924572260562000e+00 1.922992034259500e+00 1.400000000000000e-02 1.580226302499987e-03 PASS
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