Input 06-rdmft.02-gs_basis.inp

Commits > Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d > Run intel_mpi_autotools: [intel2023a-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 -1.150819641000000e+00 -1.150582391700000e+00 1.000000000000000e-03 -2.372493000000198e-04 PASS
RDMFT highest occupation number 1.935739532717000e+00 1.935709828519000e+00 1.000000000000000e-03 2.970419799996904e-05 PASS
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