Input 06-rdmft.03-gs_grid.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 -1.176087138200000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172052000000146e-04 PASS
RDMFT highest occupation number 1.946763484619000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.323233499992085e-05 PASS
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