Input 06-rdmft.02-gs_basis.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run intel_mpi_omp_autotools: [intel2022a-mpi]

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 -1.150819626600000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372348999999385e-04 PASS
RDMFT highest occupation number 1.935739520032000e+00 1.935709828519000e+00 1.000000000000000e-03 2.969151300002970e-05 PASS
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