Input 06-rdmft.03-gs_grid.inp

Commits > Commit 3f3300a09a325083399ad405019c399609c6d1c2 > Run foss-ppc: [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 -1.176087143100000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172100999999760e-04 PASS
RDMFT highest occupation number 1.946763503929000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321302499987745e-05 PASS
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