Input 06-rdmft.02-gs_basis.inp

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_intel-2022a_impi_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 -1.150819617300000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372256000000572e-04 PASS
RDMFT highest occupation number 1.935739421965000e+00 1.935709828519000e+00 1.000000000000000e-03 2.959344599995362e-05 PASS
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