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

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Run spack_intel-2023a_impi

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 -8.889803121199999e-01 -8.889465539750000e-01 8.700000000000000e-04 -3.375814499995133e-05 PASS
dRDMFT total mode occupation 8.319329168000000e-02 8.322159703800000e-02 2.200000000000000e-03 -2.830535799999701e-05 PASS
dRDMFT highest occupation number 1.923061699030000e+00 1.922992034259500e+00 1.400000000000000e-02 6.966477050007747e-05 PASS
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