Input 06-rdmft.02-gs_basis.inp

Commits > Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 > Run intel-2022a_omp_impi

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 -1.150819616100000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372243999999579e-04 PASS
RDMFT highest occupation number 1.935739475584000e+00 1.935709828519000e+00 1.000000000000000e-03 2.964706500008241e-05 PASS
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