Input 06-rdmft.02-gs_basis.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run eb_fosscuda-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 -1.150739997400000e+00 -1.150582391700000e+00 1.000000000000000e-03 -1.576057000001185e-04 PASS
RDMFT highest occupation number 1.935638235491000e+00 1.935709828519000e+00 1.000000000000000e-03 -7.159302799997214e-05 PASS
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