Input 06-rdmft.02-gs_basis.inp

Commits > Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d > Run intel-omp: [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 -1.150819646000000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372542999999894e-04 PASS
RDMFT highest occupation number 1.935739550745000e+00 1.935709828519000e+00 1.000000000000000e-03 2.972222599995078e-05 PASS
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