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

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_intel-2022a_impi_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 -8.889747785400000e-01 -8.889465539750000e-01 8.700000000000000e-04 -2.822456499995685e-05 PASS
dRDMFT total mode occupation 8.328758786700000e-02 8.322159703800000e-02 2.200000000000000e-03 6.599082899999553e-05 PASS
dRDMFT highest occupation number 1.922494847509000e+00 1.922992034259500e+00 1.400000000000000e-02 -4.971867504999228e-04 PASS
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