Input 06-rdmft.02-gs_basis.inp

Commits > Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 > Run foss-cmake-zen4: [foss2023a-mpi, foss-full-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 -1.150819647700000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372559999999080e-04 PASS
RDMFT highest occupation number 1.935739549586000e+00 1.935709828519000e+00 1.000000000000000e-03 2.972106699994370e-05 PASS
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