Input 06-rdmft.03-gs_grid.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Run foss_cmake: [foss2022a-mpi, foss-min-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 -1.176087148000000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172149999999373e-04 PASS
RDMFT highest occupation number 1.946763523143000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.319381099993080e-05 PASS
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