Input 06-rdmft.03-gs_grid.inp

Commits > Commit 8ce473bc2e5cdca8ff24e2d00f27e291b995e815 > Run foss-serial-min: [foss2022a-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 -1.176087143300000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172102999999925e-04 PASS
RDMFT highest occupation number 1.946763504387000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321256700001719e-05 PASS
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