Input 06-rdmft.02-gs_basis.inp

Commits > Commit a707423db2dcfe1920cae26cacaed48d94544399 > Run foss-2022a_ppc

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 -1.150819607900000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372161999999456e-04 PASS
RDMFT highest occupation number 1.935739390114000e+00 1.935709828519000e+00 1.000000000000000e-03 2.956159500011601e-05 PASS
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