Input 06-rdmft.03-gs_grid.inp

Commits > Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 > Run eb_foss-2022a_mpi

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 -1.176087157400000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172244000000489e-04 PASS
RDMFT highest occupation number 1.946763532741000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.318421299998043e-05 PASS
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