Input 06-rdmft.02-gs_basis.inp

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Run spack_intel-2023a_impi

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 -1.150819616800000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372251000000158e-04 PASS
RDMFT highest occupation number 1.935739478023000e+00 1.935709828519000e+00 1.000000000000000e-03 2.964950399997335e-05 PASS
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