Input 06-rdmft.02-gs_basis.inp

Commits > Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 > Run foss-2022a_mpi_omp

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 -1.150819624500000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372327999999868e-04 PASS
RDMFT highest occupation number 1.935739513336000e+00 1.935709828519000e+00 1.000000000000000e-03 2.968481700005299e-05 PASS
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