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

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_foss-2022b_libxc6

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 -8.890047951400000e-01 -8.889465539750000e-01 8.700000000000000e-04 -5.824116499997256e-05 PASS
dRDMFT total mode occupation 8.307535808700001e-02 8.322159703800000e-02 2.200000000000000e-03 -1.462389509999940e-04 PASS
dRDMFT highest occupation number 1.923818560845000e+00 1.922992034259500e+00 1.400000000000000e-02 8.265265855000870e-04 PASS
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