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

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_mpi_omp

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 -8.889807063700000e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.415239500004219e-05 PASS
dRDMFT total mode occupation 8.308897244400000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.326245939999998e-04 PASS
dRDMFT highest occupation number 1.923896219198000e+00 1.922992034259500e+00 1.400000000000000e-02 9.041849385000855e-04 PASS
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