Input 06-rdmft.02-gs_basis.inp

Commits > Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c > Run foss-2022a_opt

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 -1.150819632400000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372406999999743e-04 PASS
RDMFT highest occupation number 1.935739524736000e+00 1.935709828519000e+00 1.000000000000000e-03 2.969621700010805e-05 PASS
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