Input 06-rdmft.02-gs_basis.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_foss-2022a_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 -1.150819627300000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372355999999964e-04 PASS
RDMFT highest occupation number 1.935739527272000e+00 1.935709828519000e+00 1.000000000000000e-03 2.969875299996261e-05 PASS
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