Input 06-rdmft.02-gs_basis.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run cmake_foss_2022a_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 -1.150819616200000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372244999999662e-04 PASS
RDMFT highest occupation number 1.935739431319000e+00 1.935709828519000e+00 1.000000000000000e-03 2.960279999997262e-05 PASS
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