Input 06-rdmft.02-gs_basis.inp

Commits > Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 > Run foss-mpi-min: [foss2022a-mpi]

Matches

Name Value Reference Precision Difference Status
SCF convergence 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-03 0.000000000000000e+00 PASS
RDMFT converged energy -1.150819647200000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372555000000887e-04 PASS
RDMFT highest occupation number 1.935739556935000e+00 1.935709828519000e+00 1.000000000000000e-03 2.972841600001885e-05 PASS
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