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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2023a_mpi_opt

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 -8.890036809100000e-01 -8.889465539750000e-01 8.700000000000000e-04 -5.712693500004029e-05 PASS
dRDMFT total mode occupation 8.308609671599999e-02 8.322159703800000e-02 2.200000000000000e-03 -1.355003220000067e-04 PASS
dRDMFT highest occupation number 1.923790341526000e+00 1.922992034259500e+00 1.400000000000000e-02 7.983072665000979e-04 PASS
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