Input 06-rdmft.02-gs_basis.inp

Commits > Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 > Run intel-omp: [intel2022a-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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