Input 06-rdmft.03-gs_grid.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_opt_autotools: [foss2023a-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 -1.176087141600000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172086000000739e-04 PASS
RDMFT highest occupation number 1.946763498340000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.321861400002902e-05 PASS
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