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

Commits > Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc > Run spack_foss-2022a_cuda_serial

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 -8.889780175899999e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.146361499994921e-05 PASS
dRDMFT total mode occupation 8.320648501800000e-02 8.322159703800000e-02 2.200000000000000e-03 -1.511201999999934e-05 PASS
dRDMFT highest occupation number 1.922964857808000e+00 1.922992034259500e+00 1.400000000000000e-02 -2.717645149985515e-05 PASS
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