Input 06-rdmft.02-gs_basis.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_cmake: [foss2022a-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 -1.150819626000000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372343000001109e-04 PASS
RDMFT highest occupation number 1.935739514889000e+00 1.935709828519000e+00 1.000000000000000e-03 2.968637000000385e-05 PASS
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