Input 06-rdmft.02-gs_basis.inp

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Run foss-mpi-min: [foss2022a-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 -1.150819648500000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372567999999742e-04 PASS
RDMFT highest occupation number 1.935739560978000e+00 1.935709828519000e+00 1.000000000000000e-03 2.973245899995369e-05 PASS
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