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

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]

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 -8.890074356200000e-01 -8.889465539750000e-01 8.700000000000000e-04 -6.088164499995496e-05 PASS
dRDMFT total mode occupation 8.309988605000000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.217109879999984e-04 PASS
dRDMFT highest occupation number 1.923731753322000e+00 1.922992034259500e+00 1.400000000000000e-02 7.397190625000327e-04 PASS
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