Input 06-rdmft.02-gs_basis.inp

Commits > Commit 6099f031302cffa2938f492784ba2f7b55faffa3 > Run foss_autotools: [foss2022a-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 -1.150819627600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372359000000213e-04 PASS
RDMFT highest occupation number 1.935739527986000e+00 1.935709828519000e+00 1.000000000000000e-03 2.969946699993287e-05 PASS
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