Input 06-rdmft.03-gs_grid.inp

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Run ppc: [foss2023a-serial]

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 -1.176087143800000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172108000000339e-04 PASS
RDMFT highest occupation number 1.946763507032000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.320992200002038e-05 PASS
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