Input 06-rdmft.03-gs_grid.inp

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Run intel-2022a_omp_impi

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 -1.176087152000000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172190000000462e-04 PASS
RDMFT highest occupation number 1.946763514062000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.320289199988281e-05 PASS
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