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

Commits > Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 > Run intel-2022a_omp_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 -8.889498326500000e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.278675000051301e-06 PASS
dRDMFT total mode occupation 8.358615113700001e-02 8.322159703800000e-02 2.200000000000000e-03 3.645540990000057e-04 PASS
dRDMFT highest occupation number 1.920380146361000e+00 1.922992034259500e+00 1.400000000000000e-02 -2.611887898499976e-03 PASS
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