Input 06-rdmft.03-gs_grid.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run intel-omp: [intel2022a-serial]

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 -1.176087136500000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172035000000960e-04 PASS
RDMFT highest occupation number 1.946763483056000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.323389799987254e-05 PASS
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