Input 06-rdmft.03-gs_grid.inp

Commits > Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 > Run foss_cmake: [foss2022a-serial, foss-full]

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 -1.176087136200000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172032000000712e-04 PASS
RDMFT highest occupation number 1.946763478242000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.323871199995999e-05 PASS
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