Input 06-rdmft.02-gs_basis.inp

Commits > Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 > Run foss-serial-debug: [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 -1.150819645100000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372533999999149e-04 PASS
RDMFT highest occupation number 1.935739545351000e+00 1.935709828519000e+00 1.000000000000000e-03 2.971683200003739e-05 PASS
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