Input 06-rdmft.02-gs_basis.inp

Commits > Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 > Run intel-serial: [intel2023a-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 -1.150819634400000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372426999999178e-04 PASS
RDMFT highest occupation number 1.935739451787000e+00 1.935709828519000e+00 1.000000000000000e-03 2.962326799993420e-05 PASS
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