Input 06-rdmft.02-gs_basis.inp

Commits > Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 > 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 -1.150819644600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372529000000956e-04 PASS
RDMFT highest occupation number 1.935739542202000e+00 1.935709828519000e+00 1.000000000000000e-03 2.971368300008770e-05 PASS
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