Input 06-rdmft.03-gs_grid.inp

Commits > Commit e20977157e4d251b72bb22e6c23e92a645445263 > Run intel-2022b

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 1.946763509244000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.320770999988177e-05 PASS
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