Input 06-rdmft.03-gs_grid.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run GCI_foss_min_autotools: [foss2022a-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 -1.176087137100000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172040999999236e-04 PASS
RDMFT highest occupation number 1.946763488070000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.322888399999059e-05 PASS
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