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

Commits > Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 > Run spack_foss-2022a_cuda_mpi_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 -8.890063533200000e-01 -8.889465539750000e-01 8.700000000000000e-04 -5.979934500000006e-05 PASS
dRDMFT total mode occupation 8.311329096700000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.083060710000000e-04 PASS
dRDMFT highest occupation number 1.923644034433000e+00 1.922992034259500e+00 1.400000000000000e-02 6.520001734999781e-04 PASS
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