Input 06-rdmft.03-gs_grid.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run foss-mpi-full: [foss2023a-mpi]

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 -1.176087140400000e+00 -1.175869933000000e+00 1.000000000000000e-03 -2.172073999999746e-04 PASS
RDMFT highest occupation number 1.946763493295000e+00 1.946806716954000e+00 1.000000000000000e-03 -4.322365900000236e-05 PASS
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