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

Commits > Commit 94d58911903c32860449c62a795f2d74d19217f9 > Run foss_mpi_omp_autotools: [foss2023a-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 -8.889806556900000e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.410171499995673e-05 PASS
dRDMFT total mode occupation 8.313659363299999e-02 8.322159703800000e-02 2.200000000000000e-03 -8.500340500000592e-05 PASS
dRDMFT highest occupation number 1.923369728043000e+00 1.922992034259500e+00 1.400000000000000e-02 3.776937835000549e-04 PASS
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