Input 06-rdmft.02-gs_basis.inp

Commits > Commit c461bdde143a1ab201b7896fffa943f7e4c29d0f > Run foss-mpi-opt-full: [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 -1.150819633200000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372415000000405e-04 PASS
RDMFT highest occupation number 1.935739447946000e+00 1.935709828519000e+00 1.000000000000000e-03 2.961942699997167e-05 PASS
Compare to other inputs