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

Commits > Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 > Run eb_foss-2022b_libxc6_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 -8.889728223000000e-01 -8.889465539750000e-01 8.700000000000000e-04 -2.626832499996734e-05 PASS
dRDMFT total mode occupation 8.319860743500000e-02 8.322159703800000e-02 2.200000000000000e-03 -2.298960299999819e-05 PASS
dRDMFT highest occupation number 1.923079808889000e+00 1.922992034259500e+00 1.400000000000000e-02 8.777462950004811e-05 PASS
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