Input 06-rdmft.02-gs_basis.inp

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Run eb_foss-2022b_libxc6

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 -1.150819606600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372149000000601e-04 PASS
RDMFT highest occupation number 1.935739382954000e+00 1.935709828519000e+00 1.000000000000000e-03 2.955443499996768e-05 PASS
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