Input 06-rdmft.02-gs_basis.inp

Commits > Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 > Run foss-omp-full: [foss2023a-serial]

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 -1.150819627800000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372361000000378e-04 PASS
RDMFT highest occupation number 1.935739444112000e+00 1.935709828519000e+00 1.000000000000000e-03 2.961559299996530e-05 PASS
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