Input 06-rdmft.03-gs_grid.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_autotools: [foss2023b-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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