Input 06-rdmft.02-gs_basis.inp

Commits > Commit 77b19a812457519ffe2e63888ffe5f5b10958dc8 > Run eb_foss-2022a

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 -1.150819605600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372138999999773e-04 PASS
RDMFT highest occupation number 1.935739383816000e+00 1.935709828519000e+00 1.000000000000000e-03 2.955529699999460e-05 PASS
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