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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run intel-2022a_impi

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 -8.889792104599999e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.265648499994889e-05 PASS
dRDMFT total mode occupation 8.302013361600000e-02 8.322159703800000e-02 2.200000000000000e-03 -2.014634220000033e-04 PASS
dRDMFT highest occupation number 1.924025900834000e+00 1.922992034259500e+00 1.400000000000000e-02 1.033866574499998e-03 PASS
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