Input 06-rdmft.02-gs_basis.inp

Commits > Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 > Run spack_foss-2022a_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 -1.150819600500000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372087999999994e-04 PASS
RDMFT highest occupation number 1.935739380017000e+00 1.935709828519000e+00 1.000000000000000e-03 2.955149799999113e-05 PASS
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