Input 06-rdmft.03-gs_grid.inp

Commits > Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee > Run spack_foss-2023a_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 -1.176087154300000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172213000000145e-04 PASS
RDMFT highest occupation number 1.946763520960000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.319599399993379e-05 PASS
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