Input 06-rdmft.02-gs_basis.inp

Commits > Commit c9606f298ccf4e57d14167459d26815f7508aa3e > Run foss_mpi_autotools: [foss2023a-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 -1.150819627200000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372354999999882e-04 PASS
RDMFT highest occupation number 1.935739441292000e+00 1.935709828519000e+00 1.000000000000000e-03 2.961277299995402e-05 PASS
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